SCHEMBL3643239

SCHEMBL3643239

Clc1ccc(CCNc2nc(N3CCCCC3)nc3ccccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.67
MRGPRX1 Q96LB2 2/20 0.64
HTR3A P46098 1/20 0.62
MAPK1 P28482 2/20 0.60
POLB P06746 1/20 0.60
ATM Q13315 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
KDM4E B2RXH2 6/20 0.58
GLA P06280 3/20 0.58
TSHR P16473 2/20 0.58
HSD17B10 Q99714 2/20 0.58
MEN1 O00255 1/20 0.58
NPY1R P25929 1/20 0.58
KMT2A Q03164 1/20 0.58
APP P05067 1/20 0.55
HTT P42858 1/20 0.55
GAA P10253 3/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 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
Hydrochloric Acid SCHEMBL3638599 0.99 HRH4 (0.65) HRH4MRGPRX1HTR3AMAPK1POLB
SCHEMBL3640409 0.95 HRH4 (0.64) HRH4MRGPRX1HTR3AMAPK1POLB
SCHEMBL3639965 0.92 HRH4 (0.60) HRH4MRGPRX1HTR3AMAPK1POLB
SCHEMBL3640907 0.92 HRH4 (0.78) HRH4HTR3AMAPK1L3MBTL1KDM4E
SCHEMBL29777972 0.92 HRH4 (0.78) HRH4HTR3AMAPK1L3MBTL1KDM4E
SCHEMBL21225645 0.91 HRH4 (0.80) HRH4HTR3AMAPK1KDM4EGLA
SCHEMBL3640240 0.89 HRH4 (0.70) HRH4MRGPRX1HTR3AL3MBTL1KDM4E
SCHEMBL3644267 0.88 KDM4E (0.66) HRH4HTR3AMAPK1POLBATM
Hydrochloric Acid SCHEMBL3638064 0.88 HRH4 (0.69) HRH4MRGPRX1HTR3AMAPK1KDM4E
SCHEMBL3642524 0.87 KDM4E (0.67) HRH4HTR3AMAPK1POLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US claimed
CN-101784276-A Use of compounds for the preparation of antituberculosis agents SUMMIT CORP PLC 2010-07-21 CN claimed
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US disclosed
CN-101784276-A Use of compounds for the preparation of antituberculosis agents SUMMIT CORP PLC 2010-07-21 CN disclosed
EP-2173346-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS Summit Corporation Plc (GB) 2010-04-14 EP disclosed
WO-2009001060-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS SUMMIT CORPORATION PLC (GB) 2008-12-31 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 (1 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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 HRH4 360/4885MRGPRX1 18/4885HTR3A 4672/4885

“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.