SCHEMBL1668031

SCHEMBL1668031

O=C(O)Cc1cn2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.62
▸ HPGD P15428 5/20 0.62
▸ ALDH1A1 P00352 7/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ PTGS1 P23219 1/20 0.58
▸ PTGS2 P35354 1/20 0.58
▸ OPRM1 P35372 2/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ HSD17B10 Q99714 3/20 0.54
▸ GAA P10253 2/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TSHR P16473 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TP53 P04637 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9121846 0.98 KDM4E (0.61) KDM4EHPGDALDH1A1L3MBTL1POLB
SCHEMBL24158897 0.85 KDM4E (0.57) KDM4EHPGDALDH1A1L3MBTL1PTGS1
SCHEMBL14352777 0.85 KDM4E (0.57) KDM4EHPGDALDH1A1L3MBTL1PTGS1
SCHEMBL14974510 0.84 KDM4E (0.59) KDM4EHPGDALDH1A1PTGS1PTGS2
SCHEMBL10513729 0.83 KDM4E (0.55) KDM4EHPGDALDH1A1L3MBTL1PTGS1
SCHEMBL27904247 0.81 KDM4E (0.58) KDM4EHPGDALDH1A1L3MBTL1OPRM1
SCHEMBL21576143 0.81 KDM4E (0.53) KDM4EHPGDALDH1A1L3MBTL1PTGS1
SCHEMBL22581417 0.81 KDM4E (0.76) KDM4EHPGDALDH1A1L3MBTL1PTGS1
SCHEMBL15558115 0.80 KDM4E (0.61) KDM4EHPGDALDH1A1TDP1PTGS1
SCHEMBL1668064 0.79 ALDH1A1 (0.60) KDM4EHPGDALDH1A1L3MBTL1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483283-B1 Method for the manufacture of aminohydroxy diphosphonic acids STRAITMARK HOLDING AG (CH) 2015-01-07 — — EP claimed
US-8779135-B2 Method for the manufacture of aminohydroxy diphosphonic acids STRAITMARK HOLDING AG (CH) 2014-07-15 — — US claimed
US-20120245354-A1 METHOD FOR THE MANUFACTURE OF AMINOHYDROXY DIPHOSPHONIC ACIDS STRAITMARK HOLDING AG (CH) 2012-09-27 — — US claimed
US-8003820-B2 Process for preparing bisphosphonic acids DR. REDDY'S LABORATORIES LIMITED (IN) 2011-08-23 — — US claimed
EP-1656386-B1 A PROCESS FOR PREPARATION OF BISPHOSPHONIC ACID COMPOUNDS SUN PHARMACEUTICALS IND LTD (IN) 2009-12-09 — — EP claimed
US-7528280-B2 Reacting phosphorus acid, 3-pyridylacetic acid in phenol in presence of phosphorus trichloride to produce1-hydroxy-2-(3-pyridinyl)ethylidene-1,1-bisphosphonic acid (Risedronic acid); simple, effective, high purity on a commercial scale AUROBINDO PHARMA LTD. (IN) 2009-05-05 — — US claimed
US-7411087-B2 Process for preparation of bisphosphonic acid compounds SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2008-08-12 — — US claimed
WO-2007083240-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF BISPHOSPHONIC ACIDS AUROBINDO PHARMA LIMITED (IN) 2007-07-26 — — WO claimed
US-20070173645-A1 Process for the preparation of biphosphonic acids AUROBINDO PHARMA LTD (IN) 2007-07-26 — — US claimed
US-20070142636-A1 PROCESS FOR PREPARING BISPHOSPHONIC ACIDS DR. REDDY'S LABORATORIES, INC. 2007-06-21 — — US claimed
US-20060293524-A1 Namely alendronic acid, pamidronic acid, risedronic acid, zoledronic acid, ibandronic acid, minodronic acid, neridronic acid and olpadronic acid, by reacting the analogous carboxylic acid with phosphorus trichloride, pentachloride, or oxychloride in sulfolane; industrial scale SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2006-12-28 — — US claimed
EP-1656386-A2 A PROCESS FOR PREPARATION OF BISPHOSPHONIC ACID COMPOUNDS Sun Pharmaceuticals Industries Ltd. (IN) 2006-05-17 — — EP claimed
WO-2005044831-A2 A PROCESS FOR PREPARATION OF BISPHOSPHONIC ACID COMPOUNDS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2005-05-19 — — WO claimed
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 — — EP disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 — — US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 — — US disclosed
US-20040043967-A1 Novel process for making bisphosphonic acids using diluents other than halogenated hydrocarbons TEVA PHARMACEUTICALS USA, INC. 2004-03-04 — — US disclosed
WO-2003097655-A1 USE OF CERTAIN DILUENTS FOR MAKING BISPHOSPHONIC ACIDS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-11-27 — — WO disclosed
US-5057526-A Immunological disorders, suppress organ rejection BOEHRINGER MANNHEIM GMBH (DE) 1991-10-15 — — US disclosed
US-4990503-A A bone resorption inhibitor YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-05 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070173645-A1 Process for the preparation of biphosphonic acids BPGM, PPIP5K2, GNPAT KDM4E 2517/4885HPGD 1749/4885ALDH1A1 2976/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 KDM4E 2079/4885HPGD 2028/4885ALDH1A1 1991/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 KDM4E 2079/4885HPGD 2028/4885ALDH1A1 1991/4885
US-20070142636-A1 PROCESS FOR PREPARING BISPHOSPHONIC ACIDS BPGM, PHOSPHO1, PFKFB2 KDM4E 4420/4885HPGD 1417/4885ALDH1A1 3201/4885
US-20060293524-A1 Namely alendronic acid, pamidronic acid, risedronic acid, zoledronic acid, ibandronic acid, minodronic acid, neridronic acid and olpadronic acid, by reacting the analogous carboxylic acid with phosphorus trichloride, pentachloride, or oxychloride in sulfolane; industrial scale PPARD, P2RY11, SOST KDM4E 4802/4885HPGD 189/4885ALDH1A1 1661/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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