SCHEMBL362030

SCHEMBL362030

CNCCCOc1cc([N+](=O)[O-])ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.46
▸ CYP19A1 P11511 8/20 0.46
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ VCAM1 P19320 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL362743 0.84 RAB9A (0.52) RAB9ACYP19A1TSHRTDP1RECQL
SCHEMBL10352701 0.84 CYP19A1 (0.55) RAB9ACYP19A1TSHRTDP1RECQL
SCHEMBL15450621 0.83 VCAM1 (0.47) RAB9ACYP19A1TSHRTDP1RECQL
SCHEMBL10324190 0.82 RECQL (0.47) RAB9ACYP19A1TSHRTDP1RECQL
SCHEMBL361631 0.82 VCAM1 (0.46) RAB9ACYP19A1TSHRTDP1RECQL
SCHEMBL16943483 0.81 VCAM1 (0.48) CYP19A1TSHRTDP1RECQLVCAM1
SCHEMBL360560 0.81 VCAM1 (0.48) RAB9ACYP19A1TSHRTDP1RECQL
SCHEMBL361833 0.81 VCAM1 (0.48) RAB9ACYP19A1TSHRTDP1RECQL
SCHEMBL362431 0.81 RAB9A (0.49) RAB9ATSHRTDP1RECQLALDH1A1
SCHEMBL1941060 0.81 VCAM1 (0.50) CYP19A1RECQLVCAM1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 — — EP disclosed
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 — — EP disclosed
CN-102971325-B For reducing the compound that amyloid-beta produces BRISTOL-MYERS SQUIBB CO. (US) 2016-01-20 — — CN disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 — — US disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 — — US disclosed
EP-2593461-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2013-05-22 — — EP disclosed
CN-102971325-A Compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2013-03-13 — — CN disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 — — US disclosed
WO-2012009309-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 — — WO disclosed
WO-2012009309-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 — — 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 (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-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP RAB9A 1822/4885CYP19A1 2385/4885TSHR 4346/4885

“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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