SCHEMBL3868680

SCHEMBL3868680

Brc1ccc(SCCCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 0.49
MAPT P10636 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
PLA2G2A P14555 1/20 0.45
HDAC1 Q13547 1/20 0.44
PLA2G4B P0C869 1/20 0.44

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
SCHEMBL1932895 0.86 CYP1A2 (0.62) MAOAMAOBCYP1A2CYP3A4CYP2D6
SCHEMBL29601714 0.84 ALDH1A1 (0.58) MAOACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9813801 0.81 MAOA (0.50) MAOAMAOBCYP1A2CYP3A4CYP2D6
SCHEMBL11705911 0.81 MAOB (0.62) MAOAMAOBCYP1A2CYP3A4CYP2D6
SCHEMBL3390318 0.81 MAOA (0.45) MAOAMAOBCYP1A2CYP3A4CYP2D6
SCHEMBL1582481 0.80 TSHR (0.44) MAOAMAOBMAPTL3MBTL1ALDH1A1
SCHEMBL10595686 0.80 SMN1; SMN2 (0.48) MAOAMAOBMAPTCA2L3MBTL1
SCHEMBL28671423 0.78 MAOB (0.50) MAOAMAOBCYP1A2CYP3A4CYP2D6
SCHEMBL36255 0.78 HTR2A (0.60) MAOAMAOBALDH1A1HDAC1HSP90AA1
SCHEMBL6484061 0.77 PLA2G2A (0.69) MAOAMAOBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4441033-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-10-09 EP disclosed
CN-118715206-A Novel HDAC inhibitors and therapeutic uses thereof 探戈医药股份有限公司 2024-09-27 CN disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US disclosed
WO-2023102162-A1 TGONOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
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

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-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 MAOA 2912/4885MAOB 2325/4885CYP1A2 3559/4885
US-20060128690-A1 Amine derivative MC1R, MC2R, MC4R MAOA 170/4885MAOB 137/4885CYP1A2 326/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 MAOA 2223/4885MAOB 1636/4885CYP1A2 2904/4885

“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.