SCHEMBL6493307

SCHEMBL6493307

Cc1ccc(C2=C3C=CC(=N3)C(c3ccc(C)cc3)=C3C=CC(=N3)C(c3ccc(C)cc3)=C3C=CC(=N3)C(c3ccncc3)=C3C=CC2=N3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ FLT3 P36888 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK14 Q16539 3/20 0.34
▸ GCGR P47871 2/20 0.34
▸ MAPK11 Q15759 2/20 0.34
▸ ALOX5 P09917 1/20 0.34

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
SCHEMBL8187863 1.00 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL9718812 0.91 HPGD (0.38) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL245938 0.89 MAPT (0.43) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8184066 0.85 NPC1 (0.31) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL6535088 0.84 CYP2D6 (0.33) HPGDHSD17B10
SCHEMBL3913647 0.84 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL3912294 0.84 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL7265567 0.84 CYP2D6 (0.33) HPGDHSD17B10
SCHEMBL9582303 0.82 RPS6KA3 (0.43) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL7247277 0.82 CYP3A4 (0.42) NPC1RAB9ASMN1; SMN2KDM4EMEN1

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
US-6849730-B2 Methods of making porphyrins and related compounds with Lewis acids NORTH CAROLINA STATE UNIVERSITY (US) 2005-02-01 — — US disclosed
US-20030096978-A1 Methods of making porphyrins and related compounds with Lewis acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-22 — — US disclosed
US-6087493-A ENZYME IHIBITORS REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-07-11 — — US disclosed
EP-0988037-A1 PORPHYRIN COMPOUNDS AS TELOMERASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-03-29 — — EP disclosed
WO-1998033503-A1 PORPHYRIN COMPOUNDS AS TELOMERASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-08-06 — — 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-20030096978-A1 Methods of making porphyrins and related compounds with Lewis acids DDT, LIG3, SHARPIN NPC1 3589/4885RAB9A 2440/4885SMN1; SMN2 4827/4885

“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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