SCHEMBL3873689

SCHEMBL3873689

O=C(NCCc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.80
HDAC2 Q92769 2/20 0.79
HDAC8 Q9BY41 2/20 0.79
HDAC6 Q9UBN7 2/20 0.79
RAB9A P51151 8/20 0.71
NPC1 O15118 7/20 0.71
MGLL Q99685 1/20 0.67
MLYCD O95822 2/20 0.66
HDAC3 O15379 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
TAAR1 Q96RJ0 1/20 0.64
HDAC4 P56524 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63

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
SCHEMBL8163396 0.91 HSP90AA1 (0.68) HSP90AA1HDAC2HDAC8HDAC6RAB9A
SCHEMBL9422525 0.90 HSP90AA1 (0.91) HSP90AA1HDAC2HDAC8HDAC6RAB9A
SCHEMBL17372667 0.88 HSP90AA1 (0.77) HSP90AA1HDAC2HDAC8HDAC6RAB9A
SCHEMBL6571020 0.88 HDAC2 (1.00) HDAC2HDAC8HDAC6RAB9ANPC1
SCHEMBL751214 0.88 HDAC2 (0.80) HDAC2HDAC8HDAC6RAB9ANPC1
SCHEMBL3642101 0.87 HSP90AA1 (0.63) HSP90AA1HDAC2HDAC8HDAC6RAB9A
SCHEMBL6841899 0.86 HDAC2 (0.78) HDAC2HDAC8HDAC6RAB9ANPC1
SCHEMBL7282271 0.86 HDAC2 (0.78) HDAC2HDAC8HDAC6RAB9ANPC1
Hydrochloric Acid SCHEMBL28193721 0.86 HDAC2 (0.77) HDAC2HDAC8HDAC6RAB9ANPC1
SCHEMBL2919151 0.85 HDAC2 (0.76) HDAC2HDAC8HDAC6RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-20060128690-A1 Amine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-15 US disclosed
EP-1593667-A1 AMINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 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 (2 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-20060128690-A1 Amine derivative MC1R, MC2R, MC4R HSP90AA1 2143/4885HDAC2 581/4885HDAC8 1279/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 HSP90AA1 3068/4885HDAC2 674/4885HDAC8 1824/4885

“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.