SCHEMBL21335596

SCHEMBL21335596

CCn1c(C)cc2ccc(C)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ RXFP1 Q9HBX9 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.42
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2A6 P11509 3/20 0.41
▸ ACSS2 Q9NR19 1/20 0.40
▸ BTK Q06187 1/20 0.39
▸ CCR9 P51686 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38

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
SCHEMBL9581147 0.84 KMT2A (0.47) MAPTRXFP1MEN1KMT2AALDH1A1
SCHEMBL21983450 0.82 CYP1A2 (0.39) MAPTRXFP1MEN1KMT2AALDH1A1
SCHEMBL21335585 0.81 CYP11B1 (0.43) MAPTRXFP1MEN1KMT2AALDH1A1
SCHEMBL21983721 0.79 HSD17B10 (0.37) MAPTRXFP1MEN1KMT2AALDH1A1
SCHEMBL12352758 0.78 NPSR1 (0.64) MAPTRXFP1ALDH1A1NPSR1KDM4E
SCHEMBL21983449 0.78 HTR2A (0.41) MAPTRXFP1MEN1KMT2ATDP1
SCHEMBL668767 0.78 MEN1 (0.58) MAPTRXFP1MEN1KMT2AALDH1A1
SCHEMBL29392085 0.78 MEN1 (0.58) MAPTRXFP1MEN1KMT2AALDH1A1
SCHEMBL6333356 0.77 BTK (0.57) MAPTRXFP1NPSR1KDM4ENLRP3
SCHEMBL21335672 0.77 MAPT (0.46) MAPTRXFP1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 — — EP disclosed
EP-3932404-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS Beijing Tide Pharmaceutical Co., Ltd. (CN) 2022-01-05 — — EP disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 — — US disclosed
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 — — EP disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 — — 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 (2 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-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 MAPT 4738/4885RXFP1 81/4885MEN1 2711/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 MAPT 4738/4885RXFP1 81/4885MEN1 2711/4885

“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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