SCHEMBL2801059

SCHEMBL2801059

Cc1cc(C)nc(NC(=N)NCCc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.48
▸ LMNA P02545 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ TAAR1 Q96RJ0 2/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ HPGD P15428 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 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
SCHEMBL5923376 0.89 EPHX2 (0.49) ALDH1A1LMNAKDM4E
SCHEMBL5923306 0.85 ALDH1A1 (0.48) ALDH1A1LMNAKDM4ERAB9AHPGD
SCHEMBL6925014 0.81 TAAR1 (0.44) ALDH1A1LMNAKDM4ETAAR1RAB9A
SCHEMBL5923119 0.81 HTT (0.48) ALDH1A1LMNASMN1; SMN2ALOX12
SCHEMBL6828231 0.81 NMT1 (0.40) ALDH1A1LMNAKDM4ETAAR1
SCHEMBL5923585 0.79 AOC3 (0.46) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL5923052 0.78 VCP (0.46) ALDH1A1LMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL13498020 0.76 RAB9A (0.62) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL6182664 0.76 RAB9A (0.46) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5923123 0.76 RAB9A (0.51) ALDH1A1LMNAKDM4ERAB9ANPC1

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-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 — — US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 — — US disclosed
WO-2004037166-A2 THERAPEUTIC GUANIDINES ISIS PHARMACEUTICALS, INC. (US) 2004-05-06 — — 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E ALDH1A1 1066/4885LMNA 3254/4885KDM4E 3290/4885

“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.

Send feedback