SCHEMBL22828404

SCHEMBL22828404

CCCCc1ccc(NC(=O)Nc2cn[nH]c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ CASP3 P42574 1/20 0.61
▸ SENP8 Q96LD8 1/20 0.61
▸ SENP7 Q9BQF6 1/20 0.61
▸ SENP6 Q9GZR1 1/20 0.61
▸ CA12 O43570 2/20 0.56
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ POLB P06746 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ TRPV1 Q8NER1 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NFKB1 P19838 1/20 0.50

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
SCHEMBL15094124 0.84 CA12 (0.74) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL23719253 0.84 ROCK2 (0.47) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL4117293 0.79 CA12 (0.68) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL15093703 0.79 CA12 (0.73) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL4112811 0.78 CA12 (0.67) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL4107205 0.78 TRPV1 (0.72) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL22828675 0.78 HPGD (0.55) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL11353893 0.78 CA12 (0.76) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL15093871 0.78 CA12 (0.76) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL11361435 0.78 CA12 (0.76) NPC1RAB9AMEN1KMT2ACASP3

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-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 — — US disclosed
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 — — US disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 — — WO 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 (2 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-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NPC1 859/4885RAB9A 876/4885MEN1 2199/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 NPC1 249/4885RAB9A 1457/4885MEN1 1142/4885

“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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