SCHEMBL5881965

SCHEMBL5881965

CCC(=O)c1cc(C(=O)OC)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.53
KMT2A Q03164 2/20 0.49
AR P10275 1/20 0.46
PELP1 Q8IZL8 1/20 0.46
USP10 Q14694 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
PKM P14618 2/20 0.45
PTGER4 P35408 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
NPC1 O15118 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL4753199 0.86 VCAM1 (0.60) VCAM1KMT2AARPELP1ALDH1A1
SCHEMBL1353346 0.84 VCAM1 (0.57) VCAM1ALDH1A1HPGDNPSR1LMNA
SCHEMBL30304316 0.82 VCAM1 (0.56) VCAM1KMT2AARPELP1ALDH1A1
SCHEMBL11330293 0.82 VCAM1 (0.56) VCAM1ARPELP1ALDH1A1HPGD
SCHEMBL19046539 0.81 VCAM1 (0.55) VCAM1KMT2AARPELP1USP10
SCHEMBL18013199 0.81 VCAM1 (0.61) VCAM1KMT2AARPELP1USP10
SCHEMBL5734347 0.80 VCAM1 (0.68) VCAM1KMT2AALDH1A1HPGDNPSR1
SCHEMBL4273530 0.79 SMN1; SMN2 (0.52) KMT2AALDH1A1HPGDLMNAMAPT
SCHEMBL2722007 0.79 VCAM1 (0.56) VCAM1ARPELP1USP10ALDH1A1
SCHEMBL19329160 0.79 KDM4E (0.57) KMT2AALDH1A1HPGDLMNAMAPT

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-7115647-B2 Method of inhibiting neoplastic cells with indole derivatives OSI PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20020143022-A1 Method of inhibiting neoplastic cells with indole derivatives OSI PHARMACEUTICALS, INC. 2002-10-03 US disclosed
US-6410584-B1 ANTICANCER AGENTS CELL PATHWAYS, INC. 2002-06-25 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-20020143022-A1 Method of inhibiting neoplastic cells with indole derivatives IDO1, IDO2, INMT VCAM1 2038/4885KMT2A 1949/4885AR 1527/4885

“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.