SCHEMBL5864901

SCHEMBL5864901

CCCCN1CCC(Oc2ccc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 4/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SCD O00767 1/20 0.45
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42

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
SCHEMBL3979711 0.85 SCD (0.51) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL5864902 0.83 SCN1A (0.55) MAPTRAB9AMAPK1
SCHEMBL3975186 0.81 ALDH1A1 (0.45) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL4687709 0.81 MAOA (0.52) ALDH1A1SMN1; SMN2KDM4EMAOAMAOB
SCHEMBL6815887 0.81 SCD (0.47) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL5864745 0.81 MAPT (0.57) MAPTKMT2ARAB9ACYP1A2CYP2D6
SCHEMBL5864792 0.81 ALDH1A1 (0.47) MAPTALDH1A1LMNAKMT2ASCD
SCHEMBL27265100 0.80 HSD17B10 (0.53) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL5864791 0.80 HTR4 (0.47) ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL5865157 0.79 SCD (0.48) MAPTALDH1A1LMNAKMT2ASCD

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-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 US disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 EP 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-20040147555-A1 Benzamidine derivatives F9, F7, F2 MAPT 4885/4885ALDH1A1 1382/4885LMNA 1752/4885

“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.