SCHEMBL3637860

SCHEMBL3637860

c1ccc(C2(Nc3nc(N4CCCC4)nc4ccccc34)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.55
▸ GAA P10253 7/20 0.55
▸ HSD17B10 Q99714 6/20 0.55
▸ GLA P06280 5/20 0.55
▸ TSHR P16473 4/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ NPY1R P25929 1/20 0.55
▸ HPGD P15428 5/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ LMNA P02545 5/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ HTT P42858 2/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL3644628 0.99 KDM4E (0.56) KDM4EGAAHSD17B10GLATSHR
SCHEMBL3644630 0.95 KDM4E (0.55) KDM4EGAAHSD17B10GLATSHR
SCHEMBL3776217 0.92 L3MBTL1 (0.55) KDM4EGAAHSD17B10GLATSHR
SCHEMBL3640490 0.91 L3MBTL1 (0.57) KDM4EGAAHSD17B10GLATSHR
SCHEMBL3642953 0.91 HTR2A (0.53) KDM4EGAAHSD17B10GLATSHR
SCHEMBL3772973 0.91 L3MBTL1 (0.57) KDM4EGAAHSD17B10GLATSHR
Hydrochloric Acid SCHEMBL3638817 0.91 L3MBTL1 (0.54) KDM4EGAAHSD17B10GLATSHR
Hydrochloric Acid SCHEMBL3639728 0.90 L3MBTL1 (0.56) KDM4EGAAHSD17B10GLATSHR
SCHEMBL3635656 0.82 HTR2A (0.52) KDM4EGAAHSD17B10KMT2AMAPT
SCHEMBL18500364 0.77 HTR3A (0.78) KDM4EGAAHSD17B10GLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 3866/4885GAA 1009/4885HSD17B10 2425/4885

“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.

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