SCHEMBL6718136

SCHEMBL6718136

c1ccc(CCNNCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
IDO1 P14902 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAOA P21397 2/20 0.54
ATM Q13315 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
KDM1A O60341 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
CYP2C8 P10632 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL10395199 0.90 SMN1; SMN2 (0.64) GAAMAPTIDO1NPC1RAB9A
SCHEMBL5502258 0.88 HTT (0.52) GAAMAPTIDO1NPC1RAB9A
SCHEMBL10987216 0.88 MEN1 (0.59) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1792873 0.84 IDO1 (0.60) GAAMAPTIDO1MAOAALDH1A1
Hydrochloric Acid SCHEMBL7340226 0.82 MAPT (0.62) GAAMAPTIDO1MAOAALDH1A1
SCHEMBL9277475 0.81 MEN1 (0.68) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2893366 0.79 MEN1 (0.50) GAAMAPTIDO1MAOACYP3A4
SCHEMBL9320464 0.79 ATM (0.58) GAAMAPTIDO1NPC1RAB9A
SCHEMBL22472095 0.79 ATM (0.58) GAAMAPTIDO1NPC1RAB9A
SCHEMBL27228 0.78 GAA (0.95) GAAMAPTMAOAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5407932-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-04-18 US claimed
EP-4028130-A1 BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION Shionogi & Co., Ltd (JP) 2022-07-20 EP disclosed
WO-2021132528-A1 SHORT-CHAIN CPG-CONTAINING OLIGODEOXYNUCLEOTIDE WITH LINKED POLYDEOXYADENYLIC ACID, COMPLEX CONTAINING SAID OLIGODEOXYNUCLEOTIDE, AND USE THEREOF ナパジェン ファーマ,インコーポレテッド 2021-07-01 WO disclosed
WO-2021050708-A1 BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION SHIONOGI & CO., LTD. (JP) 2021-03-18 WO disclosed
US-20040053907-A1 Cell adhesion inhibitors BIOGEN, INC. A MASSACHUSETTS CORPORATION. 2004-03-18 US disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
US-5563138-A 4-OXOQUINOLINE-3-CARBOXYLIC ACID COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-10-08 US disclosed
US-5446058-A Leukotriene antagonists, 5-alpha-reductase inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-29 US disclosed
US-4839468-A WATER SOLUBLE DYES BAYER AKTIENGESELLSCHAFT (DE) 1989-06-13 US disclosed
US-4211436-A Pressure-sensitive recording material BAYER AKTIENGESELLSCHAFT (DE) 1980-07-08 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-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 GAA 2124/4885MAPT 4838/4885IDO1 804/4885
US-20040053907-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM GAA 2920/4885MAPT 2771/4885IDO1 1431/4885

“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.