SCHEMBL16627058

SCHEMBL16627058

O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2[nH]1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.78
RAB9A P51151 2/20 0.78
LMNA P02545 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
EGFR P00533 6/20 0.71
PIK3CA P42336 6/20 0.71
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
RXFP1 Q9HBX9 1/20 0.65
NHERF1 O14745 2/20 0.64
PYGL P06737 4/20 0.62
KDM1A O60341 1/20 0.62
RCOR1 Q9UKL0 1/20 0.62
IDO1 P14902 1/20 0.61
GAA P10253 2/20 0.61
MGAM O43451 1/20 0.61
SI P14410 1/20 0.61
MGAM2 Q2M2H8 1/20 0.61
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL8769590 0.88 NPC1 (0.82) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL29475123 0.88 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL7208136 0.88 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2EGFR
Hydrochloric Acid SCHEMBL16465542 0.86 NPC1 (0.97) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL19476163 0.85 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL6037548 0.85 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL7590295 0.85 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL17433428 0.85 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL27335879 0.85 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL2721805 0.85 NHERF1 (0.64) NPC1RAB9ALMNASMN1; SMN2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530335-B Indole compound and preparation method and application thereof 华南农业大学 2021-08-31 CN disclosed
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-09 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-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 NPC1 641/4885RAB9A 1748/4885LMNA 3978/4885

“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.