SCHEMBL9980836

SCHEMBL9980836

Cn1c(Cl)nc2cc(F)c(F)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.52
CYP11B2 P19099 8/20 0.43
CYP11B1 P15538 6/20 0.43
MT-CO1 P00395 2/20 0.43
MT-CO2 P00403 2/20 0.43
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
EDNRA P25101 1/20 0.40
OPRM1 P35372 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
RAD51 Q06609 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
SCHEMBL23679807 0.79 SMN1; SMN2 (0.55) ALOX15HTTSMN1; SMN2KDM4ELMNA
SCHEMBL25219556 0.79 SMN1; SMN2 (0.40) ALOX15HTTSMN1; SMN2KDM4ELMNA
SCHEMBL30464363 0.79 SMN1; SMN2 (0.40) ALOX15HTTSMN1; SMN2KDM4ELMNA
SCHEMBL10642137 0.78 ALOX15 (0.59) ALOX15HTTSMN1; SMN2CYP11B2CYP11B1
SCHEMBL194305 0.77 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EMAPTRAB9AATM
SCHEMBL2634929 0.77 SMN1; SMN2 (0.58) SMN1; SMN2CYP11B2CYP11B1RAB9AATM
SCHEMBL28842771 0.74 ALOX15 (0.56) ALOX15HTTSMN1; SMN2CYP11B2CYP11B1
SCHEMBL17131811 0.73 HTT (1.00) ALOX15HTTCYP11B2CYP11B1MT-CO1
SCHEMBL23676503 0.73 ALOX15 (0.54) ALOX15HTTSMN1; SMN2CYP11B2CYP11B1
SCHEMBL19453690 0.73 ALOX15 (0.54) ALOX15HTTSMN1; SMN2CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260042743-A1 SUBSTITUTED BENZIMIDAZOLES FOR TREATING VIRAL DISEASES COUNCIL SCIENT IND RES (IN) 2026-02-12 US disclosed
EP-2585462-B1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-02-26 EP disclosed
US-20170290830-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2017-10-12 US disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-8940758-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-27 US disclosed
US-8846713-B2 Fused heterocyclic compounds as phosphodiesterases (PDEs) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-30 US disclosed
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-11-14 US disclosed
US-8563575-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-22 US disclosed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 US disclosed
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 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 (6 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-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A ALOX15 3085/4885HTT 4135/4885SMN1; SMN2 3762/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A ALOX15 3636/4885HTT 2950/4885SMN1; SMN2 2125/4885
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A ALOX15 3636/4885HTT 2950/4885SMN1; SMN2 2125/4885
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A ALOX15 3085/4885HTT 4135/4885SMN1; SMN2 3762/4885
US-20260042743-A1 SUBSTITUTED BENZIMIDAZOLES FOR TREATING VIRAL DISEASES ACE2, SARS1, NR3C2 ALOX15 3032/4885HTT 2192/4885SMN1; SMN2 2130/4885
US-20170290830-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF NCOA2, NCOA3, NCOA1 ALOX15 3301/4885HTT 1130/4885SMN1; SMN2 2764/4885

“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.