SCHEMBL23327652

SCHEMBL23327652

O=C(O)c1[nH]c2c(C3=CCNCC3)csc2c1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ HTR2C P28335 5/20 0.36
▸ QDPR P09417 1/20 0.36
▸ P2RY14 Q15391 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ PTGER2 P43116 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTR1D P28221 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
SCHEMBL20569634 0.82 GPR35 (0.46) GPR35PTGER2LMNAMEN1ALDH1A1
SCHEMBL23327813 0.75 BTK (0.49) HTR6BTKCCNT1CDK9
SCHEMBL23327349 0.75 PTGER2 (0.40) GPR35PTGER2KDM4EALDH1A1HPGD
SCHEMBL20568486 0.75 GPR35 (0.55) GPR35PTGER2LMNAKDM4EALDH1A1
SCHEMBL23327695 0.73 GPR35 (0.52) GPR35PTGER2
SCHEMBL23327554 0.72 GPR35 (0.39) GPR35PTGER2LMNAALDH1A1HPGD
SCHEMBL20568313 0.72 GPR35 (0.60) GPR35PTGER2LMNA
SCHEMBL20568493 0.71 GPR35 (0.38) GPR35PTGER2MEN1KMT2A
SCHEMBL20568572 0.71 DAO (0.42) GPR35PTGER2
SCHEMBL23327637 0.70 GPR35 (0.37) GPR35PTGER2LMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 — — US claimed
US-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 — — US disclosed
US-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 — — 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-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, LCT HTR6 4620/4885GPR35 4727/4885BTK 851/4885

“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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