Sugi Predict

Sugi Predict / Compounds / SCHEMBL4040495

SCHEMBL4040495

SCHEMBL4040495

NC(=O)[C@]1(NC[C@H](O)[CH]Cc2ccccc2)CCCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ KIF11 P52732 2/20 0.33

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
SCHEMBL4042651 0.86 HDAC1 (0.31) —
SCHEMBL4042404 0.77 ALDH1A1 (0.41) CYP2D6TSHROPRL1ALDH1A1
SCHEMBL4047070 0.76 ALDH1A1 (0.42) CYP2D6TSHRMEN1KMT2AOPRL1
SCHEMBL10998922 0.72 HDAC9 (0.46) MEN1KMT2AHDAC9KDM1A
SCHEMBL9432967 0.71 CTSS (0.43) SIGMAR1CYP2D6TP53CYP1A2CYP3A4
SCHEMBL11421572 0.69 HDAC9 (0.43) MEN1KMT2AHDAC9KIF11KDM5A
SCHEMBL5848005 0.67 KDM1A (0.42) KIF11KDM1A
SCHEMBL28136912 0.67 KDM1A (0.45) SIGMAR1MEN1KMT2AHDAC9KIF11
SCHEMBL7398453 0.67 SIGMAR1 (0.44) SIGMAR1CYP2D6TP53CYP1A2CYP3A4
SCHEMBL1593169 0.66 KDM1A (0.38) MEN1KMT2AHDAC9KIF11KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 — — EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 — — US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 — — US disclosed
EP-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 — — EP disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 — — WO disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 — — 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 (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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 SIGMAR1 2292/4885CYP2D6 585/4885TP53 519/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS SIGMAR1 568/4885CYP2D6 2292/4885TP53 255/4885

“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.