SCHEMBL5473603

SCHEMBL5473603

CC(C)=Nc1cc(Nc2ccccc2)c(N=C(C)C)cc1Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.44
▸ AKR1C2 P52895 2/20 0.44
▸ HSD17B10 Q99714 4/20 0.42
▸ MAPT P10636 8/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ GAA P10253 5/20 0.42
▸ TDP1 Q9NUW8 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ GLA P06280 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ALDH1A1 P00352 7/20 0.41
▸ AR P10275 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALOX15 P16050 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41

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
SCHEMBL5480337 0.94 AKR1C3 (0.42) AKR1C3AKR1C2HSD17B10MAPTMEN1
SCHEMBL5478995 0.85 AKR1C3 (0.43) AKR1C3AKR1C2HSD17B10MAPTMEN1
SCHEMBL21698312 0.85 CXCR2 (0.48) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL14583072 0.85 AKR1C3 (0.40) AKR1C3AKR1C2HSD17B10MAPTMEN1
SCHEMBL5477823 0.84 AKR1C3 (0.39) AKR1C3AKR1C2HSD17B10MAPTMEN1
SCHEMBL5479004 0.77 AKR1C3 (0.39) AKR1C3AKR1C2HSD17B10MAPTMEN1
SCHEMBL5078486 0.73 ALDH1A1 (0.55) HSD17B10MAPTMEN1KMT2AGAA
SCHEMBL5478505 0.72 PRKCI (0.31) PRKCI
SCHEMBL5080930 0.70 HSD17B10 (0.65) HSD17B10MAPTMEN1KMT2AGAA
SCHEMBL1932610 0.70 NOS1 (0.42) HSD17B10MAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078256-A1 Prepolymers, prepolymer compositions, high-molecular-weight polymers with pore structure, and dielectric films DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-05 — — US disclosed
US-20070078256-A1 Prepolymers, prepolymer compositions, high-molecular-weight polymers with pore structure, and dielectric films DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-05 — — US disclosed
US-20070078256-A1 Prepolymers, prepolymer compositions, high-molecular-weight polymers with pore structure, and dielectric films DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-05 — — US disclosed
US-7186454-B2 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-06 — — US disclosed
US-7186454-B2 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-06 — — US disclosed
US-7186454-B2 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-06 — — US disclosed
US-20070032556-A1 Aromatic polyamine derivative DAICEL CHEMICAL INSUSTRIES, LTD. (JP) 2007-02-08 — — US disclosed
EP-1683822-A1 PREPOLYMER, PREPOLYMER COMPOSITION, HIGH MOLECULAR WEIGHT POLYMER HAVING STRUCTURE CONTAINING HOLE AND ELECTRICALLY INSULATING FILM Daicel Chemical Industries, Ltd. (JP) 2006-07-26 — — EP disclosed
EP-1681284-A1 AROMATIC POLYAMINE DERIVATIVE Daicel Chemical Industries, Ltd. (JP) 2006-07-19 — — EP disclosed
US-20040175858-A1 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-09 — — 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-20070032556-A1 Aromatic polyamine derivative SRM, PRMT1, KDM8 AKR1C3 201/4885AKR1C2 221/4885HSD17B10 2813/4885

“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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