SCHEMBL8505339

SCHEMBL8505339

CC(=O)NN(C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
ALDH1A1 P00352 3/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
NAPRT Q6XQN6 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX5 P09917 1/20 0.42
GLA P06280 1/20 0.41
TACR3 P29371 1/20 0.40

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
SCHEMBL11045262 0.84 HTT (0.56) HTTALDH1A1RAB9ANPC1HPGD
Hydrochloric Acid SCHEMBL5144331 0.83 HTT (0.54) HTTALDH1A1RAB9ANPC1HPGD
SCHEMBL9333402 0.81 HTT (0.53) HTTALDH1A1RAB9ANPC1HPGD
SCHEMBL1520692 0.81 HTT (0.53) HTTALDH1A1RAB9ANPC1HPGD
SCHEMBL12305493 0.80 KMT2A (0.53) HTTALDH1A1MTNR1AMTNR1BNAPRT
SCHEMBL11369151 0.79 TDP1 (0.59) HTTALDH1A1HSD17B10RAB9ANPC1
SCHEMBL9130749 0.78 MTNR1A (0.47) HTTALDH1A1MTNR1AMTNR1BNAPRT
SCHEMBL20893396 0.77 MTNR1A (0.46) HTTALDH1A1MTNR1AMTNR1BNAPRT
SCHEMBL14989351 0.77 KMT2A (0.51) HTTALDH1A1MTNR1AMTNR1BNAPRT
SCHEMBL10416068 0.77 MTNR1A (0.46) HTTALDH1A1MTNR1AMTNR1BNAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-09-16 US disclosed
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-09-16 US disclosed
EP-2208728-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 -HYDROXYSTEROID DEHYDROGENASE Institute Of Medicinal Molecular Design, Inc. (JP) 2010-07-21 EP disclosed
CN-1152866-C Benzimidazoles, production thereof and use thereof medicaments ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-06-09 CN disclosed
CN-1308614-A Benzimidazoles, production thereof and use thereof medicaments BOEHRINGER INGELHEIM PHAMA KG (DE) 2001-08-15 CN disclosed
US-5932592-A ETHYL 4-(3,4-DIMETHOXYPHENYL)-6,7-DIMETHOXY-2-(1,2,4-TRIAZOLE-1-YLME THYL)QUINOLINE-3-CARBOXYLATE; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENT TAKEDA CHEMICAL IND., LTD. (JP) 1999-08-03 US disclosed
US-4676803-A Reactive azo dyestuffs, free from anionic groups and containing a basic group and halogenotriazinyl radical and useful for dyeing cellulose/polyester BAYER AKTIENGESELLSCHAFT (DE) 1987-06-30 US disclosed
US-4503224-A FIBER-REACTIVE, COTTON-POLYESTER BLENDS BAYER AKTIENGESELLSCHAFT (DE) 1985-03-05 US disclosed
EP-0022209-A2 Fluor-triazine dyestuffs and their use in dyeing cellulosic fibrous materials BAYER AG (DE) 1981-01-14 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 (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-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 HTT 4484/4885ALDH1A1 165/4885MTNR1A 3539/4885

“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.