SCHEMBL22914719

SCHEMBL22914719

C=C(NC)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ XBP1 P17861 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KIF11 P52732 1/20 0.49
▸ EPHX2 P34913 2/20 0.47
▸ NR1H4 Q96RI1 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ TRPV1 Q8NER1 4/20 0.46
▸ PDK1 Q15118 1/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ PDK3 Q15120 1/20 0.46

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
SCHEMBL13104357 0.79 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12994851 0.77 POLB (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10201044 0.76 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14768879 0.75 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14258988 0.74 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1176717 0.73 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9078037 0.73 RXFP1 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22903134 0.73 HDAC3 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL25506668 0.73 RAB9A (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13756246 0.72 MAPT (0.81) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-20210023085-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-01-28 — — 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-20210023085-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 NPC1 2896/4885RAB9A 546/4885SMN1; SMN2 4865/4885

“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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