SCHEMBL1639815

SCHEMBL1639815

CC(C)N(Cc1ccc(Br)cc1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
PYCR1 P32322 8/20 0.52
MAOB P27338 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TAAR1 Q96RJ0 3/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR2A P28223 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL26267232 0.88 HDAC1 (0.59) HDAC1HDAC8HDAC6PYCR1MAOB
SCHEMBL8252038 0.79 HDAC1 (0.52) HDAC1HDAC8HDAC6PYCR1KDM4E
SCHEMBL819942 0.79 HDAC1 (0.52) HDAC1HDAC8HDAC6PYCR1TAAR1
SCHEMBL15128047 0.78 PYCR1 (0.67) PYCR1MAOBKDM4EALDH1A1TAAR1
SCHEMBL2483550 0.77 HDAC1 (0.55) HDAC1HDAC8HDAC6ALDH1A1TAAR1
SCHEMBL3146362 0.77 HDAC1 (0.50) HDAC1HDAC8HDAC6PYCR1MAOB
SCHEMBL8611171 0.77 HDAC1 (0.46) HDAC1HDAC8HDAC6PYCR1MAOB
SCHEMBL608453 0.76 TSHR (0.54) HDAC1HDAC8HDAC6PYCR1MAOB
SCHEMBL13859083 0.75 PYCR1 (0.56) HDAC1HDAC8HDAC6PYCR1MAOB
Hydrochloric Acid SCHEMBL27658035 0.74 TSHR (0.52) HDAC1HDAC8HDAC6PYCR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536242-B2 Photocurable composition SEKISUI CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-20110097669-A1 PHOTOCURABLE COMPOSITION SEKISUI CHEMICAL CO., LTD. (JP) 2011-04-28 US disclosed
US-7803792-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-28 US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
US-20070072096-A1 Negative curable dye-containing composition, color filter, and method of manufacturing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
EP-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 US disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 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 (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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 HDAC1 607/4885HDAC8 1484/4885HDAC6 248/4885
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 HDAC1 61/4885HDAC8 185/4885HDAC6 670/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 HDAC1 67/4885HDAC8 406/4885HDAC6 1301/4885

“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.