SCHEMBL14973337

SCHEMBL14973337

NP(N)(=O)n1c2ccc3ccccc3c2c2c3ccccc3ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ HPRT1 P00492 2/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PTK2B Q14289 1/20 0.36
▸ TYMS P04818 2/20 0.36
▸ PAX8 Q06710 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL19545508 0.74 ALDH1A1 (0.48) HSD17B10ALDH1A1TSHRTDP1CYP2A6
SCHEMBL28402349 0.71 NPSR1 (0.36) HSD17B10ALDH1A1TSHRTDP1CYP2A6
SCHEMBL31532798 0.70 TLR8 (0.40) HSD17B10ALDH1A1TSHRTDP1CYP2A6
SCHEMBL30772964 0.70 GPR3 (0.52) HSD17B10ALDH1A1TSHRTDP1CYP2A6
SCHEMBL19831358 0.70 HSD17B10 (0.48) HSD17B10ALDH1A1TSHRTDP1CYP2A6
SCHEMBL10023491 0.70 GPR3 (0.52) HSD17B10ALDH1A1TSHRTDP1CYP2A6
SCHEMBL13086954 0.67 ATM (0.56) HSD17B10ALDH1A1TSHRTDP1CYP2A6
SCHEMBL17127066 0.67 HSD17B10 (0.44) HSD17B10ALDH1A1TSHRTDP1CYP2A6
SCHEMBL31532757 0.67 TLR8 (0.47) TDP1
SCHEMBL24427107 0.67 TLR8 (0.47) HSD17B10ALDH1A1TSHRTDP1CYP2A6

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-20130137889-A1 STRECKER REAGENTS, THEIR DERIVATIVES, METHODS FOR FORMING THE SAME AND IMPROVED STRECKER REACTION NANJING UNIVERSITY (CN) 2013-05-30 — — US claimed
US-20130137889-A1 STRECKER REAGENTS, THEIR DERIVATIVES, METHODS FOR FORMING THE SAME AND IMPROVED STRECKER REACTION NANJING UNIVERSITY (CN) 2013-05-30 — — 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-20130137889-A1 STRECKER REAGENTS, THEIR DERIVATIVES, METHODS FOR FORMING THE SAME AND IMPROVED STRECKER REACTION PHOSPHO1, AGL, ITPA HSD17B10 2149/4885ALDH1A1 2548/4885TSHR 2881/4885

“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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