SCHEMBL336412

SCHEMBL336412

CNCc1nc2ccccc2[nH]1

nearest known ligand 0.96

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.96
DDAH1 O94760 1/20 0.65
GAA P10253 2/20 0.61
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
BCHE P06276 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KRAS P01116 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 1/20 0.53
TSHR P16473 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
SCHEMBL31298007 1.00 PKM (0.96) PKMDDAH1GAAPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL27041735 0.98 PKM (1.00) PKMDDAH1GAAPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL5205174 0.98 PKM (1.00) PKMDDAH1GAAPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL5973175 0.98 PKM (1.00) PKMDDAH1GAAPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL30689215 0.98 PKM (1.00) PKMDDAH1GAAPOLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL6950609 0.85 PKM (0.71) PKMDDAH1GAAPOLBSMN1; SMN2
SCHEMBL7272840 0.85 PKM (0.71) PKMDDAH1GAAPOLBSMN1; SMN2
SCHEMBL31734838 0.85 PKM (0.71) PKMDDAH1GAAPOLBSMN1; SMN2
SCHEMBL711507 0.85 PKM (0.71) PKMDDAH1GAAPOLBSMN1; SMN2
SCHEMBL21941037 0.83 PKM (0.69) PKMDDAH1GAAPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 US claimed
EP-1506277-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2005-02-16 EP claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
WO-2003097780-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2003-11-27 WO claimed
EP-1341893-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2003-09-10 EP claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2002048307-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2002-06-20 WO claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-10960088-B2 Macrocycles, cobalt and iron complexes of same, and methods of making and using same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-03-30 US disclosed
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US disclosed
EP-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed
US-5104892-A N-heteroalkyl substitutes 1-aryloxy-2-propanolamine AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-14 US disclosed
US-5084463-A Cardiovascular disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-28 US disclosed
WO-1991009023-A1 N-HETEROARALKYL-SUBSTITUTED 1-ARYLOXY-2-PROPANOLAMINE AND PROPYLAMINE DERIVATIVES POSSESSING CLASS III ANTIARRHYTHMIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 1991-06-27 WO 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-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 PKM 599/4885DDAH1 481/4885GAA 637/4885
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE AARS1, MTR, GARS1 PKM 3862/4885DDAH1 1209/4885GAA 671/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R PKM 3742/4885DDAH1 674/4885GAA 3522/4885
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase AARS1, MTR, GARS1 PKM 3862/4885DDAH1 1209/4885GAA 671/4885
US-10960088-B2 Macrocycles, cobalt and iron complexes of same, and methods of making and using same ABCB7, FECH, CYC1 PKM 1698/4885DDAH1 2659/4885GAA 3177/4885

“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.