SCHEMBL3645747

SCHEMBL3645747

COc1cccc(CNc2nc(N3CCCCC3)nc3ccccc23)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.65
▸ KMT2A Q03164 4/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ PDE5A O76074 2/20 0.61
▸ HRH4 Q9H3N8 1/20 0.61
▸ LMNA P02545 5/20 0.61
▸ MAPT P10636 4/20 0.61
▸ KDM4E B2RXH2 4/20 0.61
▸ POLB P06746 2/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ GAA P10253 2/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ TSHR P16473 6/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ HTT P42858 1/20 0.59
▸ MAPK1 P28482 3/20 0.58
▸ USP2 O75604 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58

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 SCHEMBL3640596 0.99 APP (0.64) APPKMT2AMEN1PDE5AHRH4
SCHEMBL24627394 0.90 HRH4 (0.62) APPKMT2AMEN1PDE5AHRH4
SCHEMBL3638613 0.88 PDE5A (0.65) APPKMT2AMEN1PDE5AHRH4
SCHEMBL27808565 0.86 HRH4 (0.65) APPKMT2AMEN1PDE5AHRH4
SCHEMBL2592377 0.85 PDE5A (0.77) KMT2AMEN1PDE5AHRH4LMNA
SCHEMBL3639211 0.85 PDE5A (0.77) KMT2AMEN1PDE5AHRH4LMNA
Hydrochloric Acid SCHEMBL3638336 0.85 HRH4 (0.64) APPKMT2AMEN1PDE5AHRH4
SCHEMBL3644257 0.84 PDE5A (0.60) APPKMT2AMEN1PDE5AHRH4
SCHEMBL3643346 0.84 PDE5A (0.79) APPKMT2AMEN1PDE5AHRH4
SCHEMBL3640774 0.84 APP (0.63) APPKMT2AMEN1PDE5AHRH4

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
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
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

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 APP 3840/4885KMT2A 4242/4885MEN1 2422/4885

“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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