SCHEMBL15430642

SCHEMBL15430642

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nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 1/20 0.40
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
GALR3 O60755 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.32
TRPV1 Q8NER1 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL23311313 0.92 TSHR (0.48) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL13773167 0.86 TSHR (0.58) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL5377017 0.86 TSHR (0.58) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL421627 0.77 TSHR (0.48) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL22230969 0.77 TSHR (0.42) TSHRALDH1A1
SCHEMBL14141296 0.75 TSHR (0.46) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL12967091 0.73 TSHR (0.44) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL19359816 0.73 TSHR (0.44) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL24186630 0.73 TSHR (0.44) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL421679 0.73 TSHR (0.44) TSHRTDP1CHRM2CHRM4CHRM1

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-8946188-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-02-03 US disclosed
US-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-01-23 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-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH TSHR 1484/4885TDP1 4413/4885CHRM2 4515/4885

“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.