SCHEMBL13325652

SCHEMBL13325652

Cc1ccc2ccccc2c1-c1c(C)nnn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2A6 P11509 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
GRM4 Q14833 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL13325639 0.79 IDO1 (0.48) IDO1TDO2MAPK1MAPTHTT
SCHEMBL13325654 0.76 CYP2A6 (0.46) IDO1TDO2SMN1; SMN2TSHRCYP1A2
SCHEMBL11530601 0.73 CYP1A2 (0.50) IDO1TDO2SMN1; SMN2CYP1A2RAB9A
SCHEMBL13325646 0.72 DCTPP1 (0.51) IDO1TDO2SMN1; SMN2TSHRCYP1A2
SCHEMBL13325643 0.71 FGFR1 (0.46) SMN1; SMN2TSHRRAB9ANPC1MAPT
SCHEMBL29352216 0.70 TSHR (0.65) HSD11B1TSHRCYP1A2CYP2A6RAB9A
SCHEMBL2951616 0.70 TSHR (0.65) HSD11B1TSHRCYP1A2CYP2A6RAB9A
Lithium SCHEMBL30066819 0.68 TSHR (0.62) HSD11B1TSHRCYP1A2CYP2A6RAB9A
SCHEMBL28209542 0.68 TP53 (0.53) SMN1; SMN2CYP1A2RAB9ANPC1MAPK1
SCHEMBL435000 0.67 HTT (0.59) SMN1; SMN2CYP1A2RAB9ANPC1MAPK1

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 HSD11B1 2535/4885IDO1 2304/4885TDO2 2237/4885

“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.