SCHEMBL3303530

SCHEMBL3303530

Cc1cc(N)c(Cl)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 6/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALOX15 P16050 2/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CD44 P16070 1/20 0.43
HSD17B10 Q99714 1/20 0.40
CA1 P00915 1/20 0.39
PTPN5 P54829 1/20 0.37
MAPK1 P28482 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL2669824 0.86 CD44 (0.44) ALDH1A1TSHRGAAMAPTKDM4E
SCHEMBL22922896 0.86 ALDH1A1 (0.52) ALDH1A1TSHRGAAMAPTKDM4E
SCHEMBL4027643 0.82 ALDH1A1 (0.48) ALDH1A1TSHRGAAMAPTKDM4E
SCHEMBL1494527 0.82 ALDH1A1 (0.38) ALDH1A1TSHRGAAMAPTKDM4E
SCHEMBL17736226 0.78 ALDH1A1 (0.52) ALDH1A1TSHRGAAMAPTCYP3A4
SCHEMBL9610077 0.77 SMN1; SMN2 (0.39) ALDH1A1TSHRGAAMAPTKDM4E
SCHEMBL5525333 0.75 CD44 (0.43) ALDH1A1TSHRGAAMAPTCYP3A4
SCHEMBL11682705 0.75 CYP3A4 (0.66) ALDH1A1GAAMAPTKDM4ELMNA
SCHEMBL5505433 0.75 CD44 (0.44) ALDH1A1TSHRGAAMAPTKDM4E
SCHEMBL29434817 0.75 ALDH1A1 (0.46) ALDH1A1TSHRGAAMAPTKDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760762-B2 Thienopyranones and furanopyranones as kinase, bromodomain, and checkpoint inhibitors SIGNALRX PHARMACEUTICALS, INC. (US) 2023-09-19 US disclosed
US-11345653-B2 Compositions and methods for reactivating cholinesterases THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE INC. (US) 2022-05-31 US disclosed
US-20190345097-A1 Compositions and Methods for Reactivating Cholinesterases The Henry M. Jackson Foundation for the Advancemen t of Military Medicine, Inc. (US) 2019-11-14 US disclosed
EP-3472127-A1 COMPOSITIONS AND METHODS FOR REACTIVATING CHOLINESTERASES The Henry M. Jackson Foundation for the Advancement of Military Medicine, Inc. (US) 2019-04-24 EP disclosed
WO-2017218886-A1 COMPOSITIONS AND METHODS FOR REACTIVATING CHOLINESTERASES THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) 2017-12-21 WO disclosed
EP-1968635-B1 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX INC (US) 2014-09-17 EP disclosed
US-20100093880-A1 RECYCLING CLEAVAGE OF POLYURETHANES PUREC GMBH (DE) 2010-04-15 US disclosed
EP-0450179-A1 Polyurethane ureas having diaminoanthraquinones as chain extending agents and process for the preparation of the polyurethane ureas BAYER AG (DE) 1991-10-09 EP disclosed
US-4281151-A ANTIALLERGENS, ANTIANAPHYLACTIC AGENTS THE UPJOHN COMPANY (US) 1981-07-28 US disclosed
US-4186127-A ANTIALLERGENS THE UPJOHN COMPANY (US) 1980-01-29 US disclosed
US-4165319-A Isoindoline pigments CIBA-GEIGY CORPORATION (US) 1979-08-21 US disclosed
US-4159278-A PROPHYAXIS, ANTIALLERGENS, SENSITIZATION THE UPJOHN COMPANY (US) 1979-06-26 US disclosed
US-4152510-A AROMATIC DIAMINE CHAIN EXTENDERS BAYER AKTIENGESELLSCHAFT (DE) 1979-05-01 US disclosed
US-4126617-A PROPHYLAXIS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4095028-A PROPHYLAXIS, ALLERGIES THE UPJOHN COMPANY (US) 1978-06-13 US disclosed
US-4089973-A Cyano phenylene dioxamic acid compounds used in the treatment of allergy THE UPJOHN COMPANY (US) 1978-05-16 US disclosed
US-3993679-A ANTIALLERGY THE UPJOHN COMPANY (US) 1976-11-23 US disclosed
US-3959289-A PROPHYLACTICS IN ALLERGIES THE UPJOHN COMPANY (US) 1976-05-25 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 (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-11760762-B2 Thienopyranones and furanopyranones as kinase, bromodomain, and checkpoint inhibitors CDK1, CDKN1A, CDKL1 ALDH1A1 3077/4885TSHR 2452/4885GAA 4060/4885
US-11345653-B2 Compositions and methods for reactivating cholinesterases ACHE, BCHE, CHAT ALDH1A1 735/4885TSHR 3268/4885GAA 456/4885
US-20190345097-A1 Compositions and Methods for Reactivating Cholinesterases ACHE, BCHE, CHAT ALDH1A1 735/4885TSHR 3268/4885GAA 456/4885

“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.