SCHEMBL12227346

SCHEMBL12227346

O=Cc1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ EGFR P00533 8/20 0.54
▸ PIK3CA P42336 8/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ IDO1 P14902 1/20 0.50
▸ KDM1A O60341 1/20 0.48
▸ RCOR1 Q9UKL0 1/20 0.48
▸ PIN1 Q13526 1/20 0.47
▸ CYP2A6 P11509 1/20 0.46
▸ IMPDH2 P12268 1/20 0.46
▸ FLT3 P36888 1/20 0.45
▸ PYGL P06737 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL16349644 0.82 KDM4E (0.55) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL5818325 0.79 NPC1 (0.75) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL7533561 0.75 NPC1 (0.74) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL8769590 0.75 NPC1 (0.82) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL9525511 0.74 NPC1 (0.48) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL7208136 0.74 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL29475123 0.74 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL22898907 0.73 CYP2A6 (0.51) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL468970 0.73 MAOB (0.74) NPC1RAB9ALMNASMN1; SMN2EGFR
Hydrochloric Acid SCHEMBL16465542 0.73 NPC1 (0.97) 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
US-8034959-B2 Methods of treating cancer with an antibody-drug conjugate MEDAREX, INC. (US) 2011-10-11 — — US disclosed
US-20090175888-A1 METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE MEDAREX, INC. (US) 2009-07-09 — — 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-20090175888-A1 METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE PDIA5, CD38, DUT NPC1 2474/4885RAB9A 2777/4885LMNA 2426/4885

“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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