SCHEMBL30798658

SCHEMBL30798658

NC(=O)c1ccc(F)c(N2CCNCC2)c1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HTR2C P28335 1/20 0.42
PARP1 P09874 6/20 0.41
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TGFBR1 P36897 1/20 0.36
DGAT1 O75907 1/20 0.36
TTR P02766 1/20 0.36
SCN9A Q15858 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
SCHEMBL8256371 0.85 ALDH1A1 (0.43) ACVR1ALDH1A1LMNAHTR2CMAPT
SCHEMBL16600110 0.82 BTK (0.42) ACVR1ALDH1A1LMNAPARP1
SCHEMBL25366356 0.80 HTR6 (0.44) ACVR1MAPT
SCHEMBL16599760 0.76 ADRB1 (0.43) ACVR1SCN9A
SCHEMBL3633976 0.76 ACVR1 (0.62) ACVR1ALDH1A1HTR2CPARP1MAPT
Hydrochloric Acid SCHEMBL27825221 0.75 ACVR1 (0.61) ACVR1ALDH1A1HTR2CPARP1MAPT
SCHEMBL18171738 0.73 ACVR1 (0.45) ACVR1HTR2CTGFBR1
SCHEMBL30311470 0.72 ALB (0.47) ALDH1A1LMNATTR
Bromide SCHEMBL7972748 0.72 KDR (0.47) ACVR1ALDH1A1LMNAPARP1MAPT
SCHEMBL30518913 0.71 CHRNB2 (0.48) ACVR1ALDH1A1PARP1TGFBR1

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-20240116885-A1 BENZOTHIAZOLE AND QUINOLINE DERIVATIVES AND THEIR USE SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2024-04-11 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-20240116885-A1 BENZOTHIAZOLE AND QUINOLINE DERIVATIVES AND THEIR USE PHKA1, PHKA2, CSNK1A1 ACVR1 1127/4885ALDH1A1 1445/4885LMNA 894/4885

“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.