SCHEMBL18121133

SCHEMBL18121133

O=[N+]([O-])c1ccc2ccccc2c1-c1ccc2c(c1)sc1ccc3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CASP6 P55212 1/20 0.36
▸ NQO2 P16083 2/20 0.36
▸ NQO1 P15559 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HNF4A P41235 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33

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
SCHEMBL18121135 0.93 HPRT1 (0.40) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL19831833 0.91 HPRT1 (0.43) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL19636320 0.89 HPRT1 (0.48) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL19832037 0.85 HPRT1 (0.45) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL21942074 0.84 HPRT1 (0.46) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL15462005 0.84 HPRT1 (0.44) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL10122713 0.81 NQO2 (0.41) HPRT1ALDH1A1TSHRTDP1NQO2
SCHEMBL17944156 0.78 NQO2 (0.38) HPRT1ALDH1A1TSHRNQO2NQO1
SCHEMBL17945210 0.78 CYP1A1 (0.38) HPRT1ALDH1A1TSHRNQO2NQO1
SCHEMBL15126830 0.78 HPRT1 (0.43) HPRT1ALDH1A1TSHRTDP1CASP6

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-20160293850-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-06 — — US disclosed
US-20160293850-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-06 — — 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-20160293850-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LAGE3, CCNE2 HPRT1 1100/4885ALDH1A1 214/4885TSHR 4805/4885

“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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