SCHEMBL172125

SCHEMBL172125

CNC(=O)Nc1ccc(C)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
TDP1 Q9NUW8 1/20 0.61
POLB P06746 2/20 0.60
NPC1 O15118 5/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 2/20 0.58
RAB9A P51151 5/20 0.57
PTPN7 P35236 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
KIF11 P52732 1/20 0.53
TGM2 P21980 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.53
GFER P55789 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL16556378 0.98 ALDH1A1 (0.64) ALDH1A1TDP1POLBNPC1KMT2A
SCHEMBL12444550 0.92 KIF11 (0.61) ALDH1A1TDP1POLBNPC1KMT2A
SCHEMBL10155599 0.91 ALDH1A1 (0.78) ALDH1A1POLBNPC1KMT2AMAPT
SCHEMBL14583063 0.90 NPC1 (0.64) ALDH1A1TDP1POLBNPC1KMT2A
SCHEMBL13618629 0.89 SAE1 (0.64) ALDH1A1TDP1POLBNPC1KMT2A
SCHEMBL13032399 0.89 SAE1 (0.64) ALDH1A1TDP1POLBNPC1KMT2A
SCHEMBL11828386 0.89 MMP13 (0.59) ALDH1A1TDP1POLBNPC1KMT2A
SCHEMBL11769086 0.89 ALDH1A1 (0.55) ALDH1A1TDP1POLBNPC1KMT2A
SCHEMBL1275920 0.88 ALDH1A1 (0.70) ALDH1A1TDP1POLBNPC1KMT2A
SCHEMBL12444552 0.87 MMP13 (0.57) ALDH1A1POLBNPC1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US claimed
EP-3749355-B1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIV MIAMI (US) 2024-07-03 EP disclosed
WO-2024017517-A1 LUBRICANT COMPOSITION CONTAINING AN IONIC LIQUID KLUEBER LUBRICATION MUENCHEN SE & CO. KG (DE) 2024-01-25 WO disclosed
WO-2024017518-A1 LUBRICATING GREASE COMPOSITION CONTAINING AN IONIC FLUID KLUEBER LUBRICATION MUENCHEN SE & CO. KG (DE) 2024-01-25 WO disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use NOCION THERAPEUTICS INC (US) 2023-06-22 US disclosed
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
US-5661153-A FOR TREATING ALLERGIES, ASTHMA, DERMATITIS, GRAFT REJECTIONS JAPAN ENERGY CORPORATION (JP) 1997-08-26 US disclosed
US-5614498-A OLIGOPEPTIDES, BRONCHDILATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO disclosed
EP-0700908-A1 1-Arylpyrimidine derivatives and pharmaceutical use thereof JAPAN ENERGY CORPORATION (JP) 1996-03-13 EP disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP 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 (3 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-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ALDH1A1 450/4885TDP1 3364/4885POLB 4750/4885
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 ALDH1A1 2736/4885TDP1 4216/4885POLB 1996/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ALDH1A1 450/4885TDP1 3364/4885POLB 4750/4885

“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.