SCHEMBL4553224

SCHEMBL4553224

S=C1NCC(c2ccccc2)N1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
ALOX12 P18054 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.38
ABAT P80404 1/20 0.37
QPCT Q16769 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
BPTF Q12830 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4553559 0.81 QPCT (0.51) NPSR1SMN1; SMN2ALDH1A1QPCTLMNA
SCHEMBL11397317 0.79 MAPT (0.41) NPSR1SMN1; SMN2ALDH1A1HPGDALOX12
SCHEMBL21291833 0.76 ATM (0.48) ATMNPSR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4552953 0.73 ABAT (0.44) ATMSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL8789317 0.71 SLC6A3 (0.50) ALDH1A1RAB9AQPCTLMNA
SCHEMBL4553183 0.70 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1GAAABATLMNA
SCHEMBL11183414 0.70 SMN1; SMN2 (0.41) ATMNPSR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL7947339 0.68 TDP1 (0.36) ALDH1A1TDP1POLB
SCHEMBL11129662 0.67 ATM (0.64) ATMNPSR1ALDH1A1HPGDTDP1
SCHEMBL22972985 0.67 ALDH1A1 (0.44) NPSR1SMN1; SMN2ALDH1A1KDM4EHPGD

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-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2009-07-23 US disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
WO-2006102674-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-09-28 WO disclosed
US-5210210-A CHIRAL AUXILIARIES AND THEIR USE IN THE SYNTHESIS OF CHIRAL MOLECULES THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1993-05-11 US disclosed
EP-0457469-A1 Chiral auxiliaries and their use in the synthesis of chiral molecules THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1991-11-21 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-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 ATM 4804/4885NPSR1 4168/4885SMN1; SMN2 3046/4885

“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.