SCHEMBL19961745

SCHEMBL19961745

O=[N+]([O-])c1ccccc1-c1cc2ccc3ccccc3c2c2c1sc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ HPRT1 P00492 1/20 0.42
▸ TDP1 Q9NUW8 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ LMNA P02545 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ NQO1 P15559 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ GUSB P08236 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ C1R P00736 1/20 0.36

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
SCHEMBL16218701 0.91 ALDH1A1 (0.43) ALDH1A1HPRT1TDP1TSHRMAPT
SCHEMBL16218707 0.84 ALDH1A1 (0.43) ALDH1A1HPRT1TDP1TSHRMAPT
SCHEMBL18688163 0.82 MAOB (0.40) ALDH1A1HPRT1TDP1TSHRMAPT
SCHEMBL19968138 0.82 HPRT1 (0.44) ALDH1A1HPRT1TDP1TSHRMAPT
SCHEMBL16218714 0.81 HPRT1 (0.42) ALDH1A1HPRT1TDP1TSHRMAPT
SCHEMBL17063444 0.80 ALDH1A1 (0.54) ALDH1A1HPRT1TDP1TSHRMAPT
SCHEMBL25883443 0.78 TDP1 (0.38) ALDH1A1HPRT1TDP1TSHRCYP19A1
SCHEMBL14951207 0.78 CRHBP (0.38) ALDH1A1HPRT1TDP1TSHRMAPT
SCHEMBL19544357 0.78 HPRT1 (0.47) ALDH1A1HPRT1TDP1TSHRMAPT
SCHEMBL19786520 0.76 HPRT1 (0.48) ALDH1A1HPRT1TDP1TSHRMAPT

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-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2018-03-15 — — US disclosed
US-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2018-03-15 — — 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-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME OR10J3, CRY1, NR2E3 ALDH1A1 133/4885HPRT1 172/4885TDP1 3494/4885

“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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