SCHEMBL19968138

SCHEMBL19968138

O=[N+]([O-])c1ccccc1-c1cc2c3ccccc3sc2c2c1ccc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CASP6 P55212 1/20 0.35
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ GUSB P08236 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ C1R P00736 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HNF4A P41235 1/20 0.34
▸ PARP1 P09874 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
SCHEMBL15139099 0.85 ALDH1A1 (0.44) ALDH1A1MAPTTDP1LMNACASP6
SCHEMBL16218701 0.83 ALDH1A1 (0.43) HPRT1ALDH1A1MAPTTDP1TSHR
SCHEMBL15126793 0.82 HPRT1 (0.50) HPRT1ALDH1A1MAPTHPGDTDP1
SCHEMBL19961745 0.82 ALDH1A1 (0.43) HPRT1ALDH1A1MAPTHPGDTDP1
SCHEMBL19961730 0.81 ALDH1A1 (0.42) HPRT1ALDH1A1MAPTTDP1CYP19A1
SCHEMBL19544357 0.81 HPRT1 (0.47) HPRT1ALDH1A1MAPTHPGDTDP1
SCHEMBL16218707 0.80 ALDH1A1 (0.43) HPRT1ALDH1A1MAPTHPGDTDP1
SCHEMBL18666359 0.78 ALDH1A1 (0.44) HPRT1ALDH1A1MAPTHPGDTDP1
SCHEMBL2627610 0.78 HPRT1 (0.71) HPRT1ALDH1A1MAPTTDP1TSHR
SCHEMBL19786520 0.78 HPRT1 (0.48) HPRT1ALDH1A1MAPTHPGDTDP1

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-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 HPRT1 172/4885ALDH1A1 133/4885MAPT 3200/4885

“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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