SCHEMBL17959987

SCHEMBL17959987

O=c1nc[nH]cc1Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ BRD4 O60885 6/20 0.37
▸ CTNNB1 P35222 1/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ NTRK3 Q16288 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ GSTP1 P09211 1/20 0.34
▸ SOS1 Q07889 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 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
SCHEMBL6641881 0.76 LMNA (0.44) LTA4HLMNAHTR1A
SCHEMBL444631 0.74 LTA4H (0.55) TSHRLTA4HLMNAGAAKMT2A
SCHEMBL1242120 0.70 KMT2A (0.41) TSHRLTA4HLMNAGAAKMT2A
SCHEMBL11257737 0.68 L3MBTL1 (0.40) —
SCHEMBL22588181 0.67 NTRK1 (0.47) TSHRLTA4HLMNAGAAKMT2A
SCHEMBL2235642 0.66 KDM4C (0.44) TSHRLTA4HKMT2ANTRK1NTRK3
SCHEMBL17959988 0.64 LTA4H (0.51) TSHRLTA4HBRD4GSTP1
SCHEMBL11287388 0.64 BRD4 (0.43) TSHRLTA4HLMNAGAAKMT2A
SCHEMBL51822 0.63 LTA4H (0.69) TSHRLTA4HLMNAGAAKMT2A
SCHEMBL9264065 0.61 LTA4H (0.65) TSHRLTA4HLMNAGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160221965-A1 DISUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-04 — — 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-20160221965-A1 DISUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE REN, GLS, FIBP TSHR 3731/4885LTA4H 1447/4885LMNA 821/4885

“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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