SCHEMBL13325680

SCHEMBL13325680

Cc1cnnn1-c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ MAPT P10636 4/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ APBA1 Q02410 1/20 0.43
▸ SIGMAR1 Q99720 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2A6 P11509 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39

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
SCHEMBL27916120 0.74 NPC1 (0.50) ALDH1A1MAPTHSD17B10HPGDNPC1
SCHEMBL28985365 0.70 SIGMAR1 (0.48) ALDH1A1MAPTHSD17B10HPGDNPC1
SCHEMBL28446478 0.70 KDM4E (0.52) ALDH1A1MAPTHSD17B10HPGDNPC1
SCHEMBL29462500 0.70 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10HPGDNPC1
SCHEMBL4386835 0.70 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10HPGDNPC1
SCHEMBL13425127 0.69 HCAR1 (0.47) ALDH1A1MAPTHSD17B10HPGDNPC1
SCHEMBL27659049 0.69 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10HPGDNPC1
SCHEMBL2188830 0.68 CYP11B1 (0.48) ALDH1A1MAPTHSD17B10HPGDNPC1
SCHEMBL11478440 0.67 SMN1; SMN2 (0.56) ALDH1A1MAPTHSD17B10HPGDNPC1
SCHEMBL28215247 0.67 NPC1 (0.42) ALDH1A1MAPTHSD17B10HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709655-B2 Clickphosphines for transition metal-catalyzed reactions THE PENN STATE RESEARCH FOUNDATION (US) 2010-05-04 — — US disclosed
US-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 — — US 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-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions WEE1, WEE2, ITK ALDH1A1 2744/4885MAPT 4057/4885HSD17B10 4450/4885

“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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