SCHEMBL19600983

SCHEMBL19600983

CCCCCOc1ccc(-c2cc(-c3ccccc3)no2)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 11/20 0.73
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
CYP1A2 P05177 2/20 0.63
CYP19A1 P11511 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
SMPD1 P17405 1/20 0.57
PTPN1 P18031 1/20 0.53
CYP2D6 P10635 1/20 0.52

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
SCHEMBL2403463 0.95 CYP1A2 (0.69) CXCR1NPC1RAB9ACYP1A2CYP19A1
SCHEMBL7339631 0.90 CYP1A2 (0.63) CXCR1NPC1RAB9ACYP1A2CYP19A1
SCHEMBL17951705 0.90 CYP1A2 (0.67) CXCR1NPC1RAB9ACYP1A2CYP19A1
SCHEMBL6824168 0.88 CXCR1 (0.58) CXCR1NPC1RAB9ACYP1A2CYP19A1
SCHEMBL17822356 0.87 CYP1A2 (0.60) CXCR1NPC1RAB9ACYP1A2CYP19A1
SCHEMBL10929143 0.87 CXCR1 (0.66) CXCR1NPC1RAB9ACYP1A2CYP19A1
SCHEMBL2353533 0.87 RARB (0.64) CXCR1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL7403884 0.87 RARB (0.64) CXCR1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL18314374 0.86 CYP1A2 (0.70) CXCR1NPC1RAB9ACYP1A2CYP19A1
SCHEMBL16557179 0.86 CYP1A2 (0.59) CXCR1NPC1RAB9ACYP1A2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11458189-B2 Cytoprotective drugs BALMES TRANSPLANTATION (FR) 2022-10-04 US disclosed
US-20220040092-A1 Ready to use injectable formulations of Micafungin Sodium CITIBANK, N.A. 2022-02-10 US disclosed
US-10954272-B2 Method for acylating a cyclic peptide Centrient Pharmaceuticals Netherlands B.V. 2021-03-23 US disclosed
US-20170327540-A1 METHOD FOR ACYLATING A CYCLIC PEPTIDE Centrient Pharmaceuticals Netherlands B.V. (NL) 2017-11-16 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 (4 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-10954272-B2 Method for acylating a cyclic peptide VIP, NGLY1, PTMS CXCR1 2085/4885NPC1 1254/4885RAB9A 4039/4885
US-20170327540-A1 METHOD FOR ACYLATING A CYCLIC PEPTIDE VIP, NGLY1, PTMS CXCR1 2085/4885NPC1 1254/4885RAB9A 4039/4885
US-20220040092-A1 Ready to use injectable formulations of Micafungin Sodium ERG28, MEN1, MAN2B1 CXCR1 1428/4885NPC1 131/4885RAB9A 777/4885
US-11458189-B2 Cytoprotective drugs BAD, AIFM1, CASP3 CXCR1 2608/4885NPC1 89/4885RAB9A 2265/4885

“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.