SCHEMBL10132648

SCHEMBL10132648

O=C(OCc1ccccc1)[C@H](Cc1c[nH]nn1)NC1OCO1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
TACR1 P25103 2/20 0.36
S1PR1 P21453 1/20 0.36
TYR P14679 1/20 0.36
ATM Q13315 1/20 0.36
NAMPT P43490 1/20 0.36
S1PR4 O95977 1/20 0.36
POLB P06746 1/20 0.36
CTSL P07711 1/20 0.35
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
ACE P12821 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
SCHEMBL763031 0.80 KDM1A (0.45)
SCHEMBL15425042 0.78 TACR1 (0.48) MAPTTACR1S1PR1TYRATM
SCHEMBL13259431 0.74 TACR1 (0.52) MAPTTDP1TACR1POLBCTSL
SCHEMBL15423917 0.74 ALDH1A1 (0.44) MAPTTDP1ATMALDH1A1MAPK1
SCHEMBL4691605 0.69 ALDH1A1 (0.60) TDP1ALDH1A1MAPK1
SCHEMBL25013937 0.68 SMN1; SMN2 (0.51) ATMNAMPTPOLB
SCHEMBL825025 0.66 MIF (0.39) MAPTS1PR1ATMALDH1A1MAPK1
SCHEMBL3338015 0.64 MAPT (0.49) MAPTS1PR1TYRATMS1PR4
SCHEMBL11367046 0.64 TACR1 (0.54) MAPTTACR1S1PR1POLBCTSL
SCHEMBL10420650 0.63 TACR1 (0.57) MAPTTDP1TACR1S1PR1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143301-B2 Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20100260708-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-10-14 US disclosed
WO-2010039793-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-08 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-20100260708-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MAPT 4065/4885TDP1 3331/4885TACR1 1659/4885

“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.