SCHEMBL5707682

SCHEMBL5707682

BrCc1ccccc1-c1c2ccccc2nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ MAPT P10636 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ ELANE P08246 1/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ GLA P06280 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ MAOA P21397 2/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CHRM2 P08172 1/20 0.41

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
SCHEMBL27812372 0.81 DPP4 (0.52) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2
SCHEMBL11501462 0.80 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2
SCHEMBL28193344 0.79 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2
SCHEMBL7253560 0.76 KMT2A (0.49) ALDH1A1MAPTSMN1; SMN2LMNACYP2D6
SCHEMBL27741243 0.76 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2
SCHEMBL27761255 0.75 KMT2A (0.53) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2
SCHEMBL9329217 0.74 CES1 (0.39) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL27335686 0.74 MEN1 (0.51) ALDH1A1MAPTLMNACYP1A2CYP2D6
SCHEMBL13382365 0.73 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2
SCHEMBL19609002 0.72 KMT2A (0.53) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2

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
EP-1373250-B1 VIOLOGEN LINKED ACRIDINE BASED MOLECULE AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2006-08-30 — — EP disclosed
EP-1373250-A1 VIOLOGEN LINKED ACRIDINE BASED MOLECULE AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-01-02 — — EP disclosed
US-6630481-B2 Phototherapeutic and catalytic photoactivated DNA cleaving agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH OF INDIA (IN) 2003-10-07 — — US disclosed
US-20030045538-A1 Viologen linked acridine based molecule and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH OF INDIA 2003-03-06 — — US disclosed
WO-2002079191-A1 VIOLOGEN LINKED ACRIDINE BASED MOLECULE AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-10-10 — — 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-20030045538-A1 Viologen linked acridine based molecule and process for the preparation thereof UNG, OGG1, MPG ALDH1A1 438/4885MAPT 4191/4885SMN1; SMN2 4729/4885

“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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