SCHEMBL3636087

SCHEMBL3636087

c1ccc(CCCNc2nc(N3CCCCC3)nc3ccccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.67
KDM4E B2RXH2 7/20 0.61
GLA P06280 4/20 0.61
HSD17B10 Q99714 4/20 0.61
TSHR P16473 3/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
NPY1R P25929 1/20 0.61
GAA P10253 5/20 0.57
HPGD P15428 3/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
ALOX15 P16050 2/20 0.57
THRB P10828 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PDE5A O76074 4/20 0.57
NPSR1 Q6W5P4 2/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 1/20 0.55
CYP1A2 P05177 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
SCHEMBL3640907 0.93 HRH4 (0.78) HRH4KDM4EGLAHSD17B10TSHR
SCHEMBL29777972 0.93 HRH4 (0.78) HRH4KDM4EGLAHSD17B10TSHR
SCHEMBL21225645 0.91 HRH4 (0.80) HRH4KDM4EGLAHSD17B10TSHR
SCHEMBL24627378 0.85 ACP1 (0.71) HRH4KDM4EGLAHSD17B10TSHR
SCHEMBL3640240 0.85 HRH4 (0.70) HRH4KDM4EGLAHSD17B10TSHR
SCHEMBL3643239 0.85 HRH4 (0.67) HRH4KDM4EGLAHSD17B10TSHR
SCHEMBL2592377 0.85 PDE5A (0.77) HRH4KDM4EGLAHSD17B10TSHR
SCHEMBL3639211 0.85 PDE5A (0.77) HRH4KDM4EGLAHSD17B10TSHR
Hydrochloric Acid SCHEMBL3638599 0.84 HRH4 (0.65) HRH4KDM4EGLAHSD17B10TSHR
Hydrochloric Acid SCHEMBL3638064 0.84 HRH4 (0.69) HRH4KDM4EGLAHSD17B10TSHR

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-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
EP-2173346-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS Summit Corporation Plc (GB) 2010-04-14 EP claimed
WO-2009001060-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS SUMMIT CORPORATION PLC (GB) 2008-12-31 WO claimed
WO-2022148879-A1 QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF ACKR3 STICHTING VU (NL) 2022-07-14 WO disclosed
WO-2022148879-A1 QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF ACKR3 STICHTING VU (NL) 2022-07-14 WO disclosed
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 360/4885KDM4E 3866/4885GLA 636/4885

“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.