SCHEMBL7745858

SCHEMBL7745858

Nc1ncccc1C(=O)NC1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
GAA P10253 1/20 0.57
PRKCI P41743 2/20 0.56
RAB9A P51151 2/20 0.55
NAPRT Q6XQN6 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CNR2 P34972 4/20 0.50
CNR1 P21554 3/20 0.50
P2RX7 Q99572 1/20 0.50
HSD11B1 P28845 1/20 0.49
PIK3C3 Q8NEB9 1/20 0.48
SMYD3 Q9H7B4 1/20 0.48
BMPR1B O00238 1/20 0.47
BMPR1A P36894 1/20 0.47

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
SCHEMBL29372944 0.94 BMPR1B (0.55) ALDH1A1KDM4EGAAPRKCIRAB9A
SCHEMBL29373224 0.86 HSD11B1 (0.49) ALDH1A1KDM4EGAAPRKCIRAB9A
Trifluoroacetic Acid SCHEMBL29373505 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EGAAPRKCIRAB9A
SCHEMBL6523052 0.82 MTNR1A (0.53) ALDH1A1KDM4EGAAPRKCIRAB9A
SCHEMBL3391287 0.82 MTNR1A (0.53) ALDH1A1KDM4EGAAPRKCIRAB9A
SCHEMBL6363471 0.81 DPP4 (0.66) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL6363473 0.81 DPP4 (0.66) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL6363476 0.81 DPP4 (0.66) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL31583752 0.81 P2RX7 (0.58) ALDH1A1KDM4EGAARAB9AMEN1
SCHEMBL12709415 0.81 P2RX7 (0.61) ALDH1A1KDM4EGAARAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 WO disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 ALDH1A1 2596/4885KDM4E 3678/4885GAA 3473/4885

“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.