SCHEMBL12623779

SCHEMBL12623779

Cc1nc2cc(F)c(Cn3c4cc(F)c(C)cc4c4c5cccnc5oc(=O)c43)cc2c(=O)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP2C8 P10632 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ PARP1 P09874 2/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ NOS2 P35228 1/20 0.30

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
SCHEMBL12623717 0.88 IP6K1 (0.35) ACVR1CYP2C8PARP1GRIN1GRIN2B
SCHEMBL12623799 0.86 GRIN1 (0.32) CYP2C8PARP1GRIN1GRIN2B
SCHEMBL12623874 0.86 ACVR1 (0.33) ACVR1KDM4ENPC1USP2ALDH1A1
SCHEMBL12623780 0.84 ACVR1 (0.35) ACVR1GRIN1GRIN2B
SCHEMBL12623643 0.83 ALOX15 (0.39) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL10257060 0.82 PPARG (0.35) KDM4EMAPTSMN1; SMN2GRIN1GRIN2B
SCHEMBL12655426 0.82 GRIN1 (0.31) GRIN1GRIN2B
SCHEMBL12624639 0.82 MAPT (0.40) KDM4ENPC1ALDH1A1MAPT
SCHEMBL12623598 0.81 PPARG (0.31) KDM4ECYP2C8GRIN1GRIN2B
SCHEMBL12623895 0.81 HTT (0.36) KDM4EMAPTSMN1; SMN2GRIN1GRIN2B

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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 ACVR1 3281/4885KDM4E 2071/4885NPC1 556/4885

“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.

Send feedback