SCHEMBL3259222

SCHEMBL3259222

S=C1N[C@H](c2ccccc2)[C@@H](c2ccccc2)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
P2RX7 Q99572 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3257578 1.00 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3258945 1.00 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3258947 1.00 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL2844976 0.79 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL11502286 0.79 ALDH1A1 (0.48) MEN1KMT2AMAPTALDH1A1HPGD
Bromide SCHEMBL6633416 0.77 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL29264501 0.76 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL15669988 0.76 SMN1; SMN2 (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3256905 0.75 KMT2A (0.50) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3258110 0.75 HTT (0.49) MEN1KMT2AMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741493-B2 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives; antiinflammatory agent, neurodegenerative diseases; inflammatory bowel disease, rheumatoid arthritis and diseases associated with central nervous system, such as Alzheimer's disease AVENTIS PHARMACEUTICALS INC. (US) 2010-06-22 US disclosed
EP-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 EP disclosed
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2008-06-05 US disclosed
US-7326792-B2 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2008-02-05 US disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 US disclosed
US-4308277-A IMMUNOREGULATORY, ANTITHROMBOTIC, ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1981-12-29 US disclosed
EP-0008073-A1 Thio-substituted diazacycloalkenes, their preparation and their pharmaceutical compositions CIBA-GEIGY AG (CH) 1980-02-20 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 (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-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS P2RX3, P2RX2, P2RX5 MEN1 3313/4885KMT2A 3229/4885MAPT 1996/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 MEN1 3313/4885KMT2A 3229/4885MAPT 1996/4885

“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.