SCHEMBL3748699

SCHEMBL3748699

O=C(Sc1nnnn1-c1ccccc1)Sc1nnnn1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.65
▸ MAPT P10636 3/20 0.65
▸ POLB P06746 2/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ LMNA P02545 4/20 0.55
▸ HPGD P15428 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ HTT P42858 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL7346231 0.87 ALDH1A1 (0.61) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL10951363 0.87 ALDH1A1 (0.67) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL8105314 0.85 ALDH1A1 (0.60) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL11022928 0.85 ALDH1A1 (0.65) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL9636234 0.83 ALDH1A1 (0.58) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL27438319 0.83 ALDH1A1 (0.57) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL10721861 0.81 ALDH1A1 (0.55) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL11202055 0.80 ALDH1A1 (0.73) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL2395370 0.80 ALDH1A1 (0.66) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL814874 0.79 ALDH1A1 (0.62) ALDH1A1MAPTPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1233292-A — — None — — JP disclosed
US-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 — — US disclosed
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-10 — — US disclosed
US-7396930-B2 making spiro(benzo(c)thiophene-1 (3H),4'-piperidine) derivatives; involves reacting a mercapto compound with a 2-halophenylalkyl halide, reacting with an alkyllithium, then N-ethoxycarbonyl-4-piperidone, dehydration and cyclization; industrial scale; novel intermediates to neurokinin receptor antagonist SANKYO COMPANY, LIMITED (JP) 2008-07-08 — — US disclosed
US-7365067-B2 Indanol derivative SANKYO COMPANY, LIMITED (JP) 2008-04-29 — — US disclosed
EP-1889835-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP Daiichi Sankyo Company, Limited (JP) 2008-02-20 — — EP disclosed
US-20070197570-A1 Indanol derivative SANKYO COMPANY, LIMITED (JP) 2007-08-23 — — US disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 — — US disclosed
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 — — EP disclosed
US-7012147-B2 Enzyme inhibitors; chemical intermediates SANKYO COMPANY, LIMITED (JP) 2006-03-14 — — US disclosed
US-6159967-A Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use SANKYO COMPANY, LIMITED (JP) 2000-12-12 — — US disclosed
EP-1048658-A1 ALICYCLIC ACYLATED HETEROCYCLIC DERIVATIVES Sankyo Company Limited (JP) 2000-11-02 — — EP disclosed
US-6013663-A CATARACT THERAPY OR PREVENTION SANKYO COMPANY, LIMITED (JP) 2000-01-11 — — US disclosed
US-5928851-A Photographic couplers which release useful groups anchiomerically and their synthesis EASTMAN KODAK COMPANY (US) 1999-07-27 — — US disclosed
US-5925664-A VISION DEFECTS SANKYO COMPANY, LIMITED (JP) 1999-07-20 — — US disclosed
EP-0814376-A2 Photographic couplers which release useful groups anchiomerically and their synthesis EASTMAN KODAK COMPANY (US) 1997-12-29 — — EP disclosed
EP-0795326-A1 OCULAR TENSION DEPRESSANT SANKYO COMPANY LIMITED (JP) 1997-09-17 — — EP disclosed
EP-0708769-A1 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 1996-05-01 — — EP disclosed
WO-1995002590-A2 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITIES BASF AKTIENGESELLSCHAFT (DE) 1995-01-26 — — WO disclosed
JP-H01233292-A METHOD FOR GLYCOSYLATION OGURA HARUO 1989-09-19 — — JP 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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 ALDH1A1 1073/4885MAPT 4841/4885POLB 3995/4885
US-20070197570-A1 Indanol derivative BDKRB2, BDKRB1, TACR2 ALDH1A1 1329/4885MAPT 3872/4885POLB 3820/4885
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP CBR3, CNR1, C3AR1 ALDH1A1 2601/4885MAPT 4874/4885POLB 4283/4885

“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.

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