SCHEMBL17870784

SCHEMBL17870784

C[C@H](Cl)C(=O)c1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
ALDH1A1 P00352 2/20 1.00
MEN1 O00255 3/20 0.68
PBRM1 Q86U86 1/20 0.62
GPR84 Q9NQS5 1/20 0.61
ATM Q13315 1/20 0.57
NR4A2 P43354 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
CREBBP Q92793 1/20 0.57
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.53
HAT1 O14929 2/20 0.51
EP300 Q09472 2/20 0.51
ADAM17 P78536 1/20 0.50

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
SCHEMBL17870755 1.00 KMT2A (1.00) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL3173912 0.86 KMT2A (0.76) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL31588275 0.86 KMT2A (0.76) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL5738787 0.83 KMT2A (0.71) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL5738792 0.83 KMT2A (0.71) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL5162767 0.82 KMT2A (0.69) KMT2AALDH1A1MEN1PBRM1GPR84
Hydrochloric Acid SCHEMBL7248228 0.82 KMT2A (0.69) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL25421155 0.81 KMT2A (0.68) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL22167164 0.81 KMT2A (0.68) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL14496307 0.81 KMT2A (1.00) KMT2AALDH1A1MEN1PBRM1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170368034-A1 THIOTRIAZOLE COMPOUND AND ITS USE IN PARASITIC PROTOZOAL INFECTIONS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-28 US disclosed
US-20170368034-A1 THIOTRIAZOLE COMPOUND AND ITS USE IN PARASITIC PROTOZOAL INFECTIONS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-28 US disclosed
EP-3237400-A1 THIOTRIAZOLE COMPOUND AND ITS USE IN PARASITIC PROTOZOAL INFECTIONS GlaxoSmithKline Intellectual Property Management Limited (GB) 2017-11-01 EP disclosed
WO-2016102431-A1 THIOTRIAZOLE COMPOUND AND ITS USE IN PARASITIC PROTOZOAL INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-06-30 WO disclosed
WO-2016102431-A1 THIOTRIAZOLE COMPOUND AND ITS USE IN PARASITIC PROTOZOAL INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-06-30 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 (1 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-20170368034-A1 THIOTRIAZOLE COMPOUND AND ITS USE IN PARASITIC PROTOZOAL INFECTIONS TPMT, TUBA3C, MAPT KMT2A 1085/4885ALDH1A1 636/4885MEN1 2584/4885

“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.