SCHEMBL2828548

SCHEMBL2828548

CCCCCNC(=N)Nc1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 3/20 0.67
HTT P42858 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
GAA P10253 2/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
CYP1A2 P05177 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EPHX1 P07099 3/20 0.42
QPCT Q16769 1/20 0.42
TLR8 Q9NR97 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
SCHEMBL10757398 0.87 HTT (0.70) ALOX12HTTSMN1; SMN2GAAALDH1A1
SCHEMBL10852491 0.87 HTT (0.70) ALOX12HTTSMN1; SMN2GAAALDH1A1
SCHEMBL10853481 0.82 SMN1; SMN2 (0.76) ALOX12HTTSMN1; SMN2GAARAB9A
SCHEMBL10756833 0.82 HTT (0.76) ALOX12HTTSMN1; SMN2GAAALDH1A1
SCHEMBL2361098 0.82 HTT (0.91) ALOX12HTTSMN1; SMN2GAAALDH1A1
Nitric Acid SCHEMBL11097781 0.81 HTT (0.51) ALOX12HTTSMN1; SMN2GAAALDH1A1
SCHEMBL8590214 0.80 ALOX12 (1.00) ALOX12HTTSMN1; SMN2GAAALDH1A1
SCHEMBL10602306 0.78 HPGD (0.51) ALOX12HTTSMN1; SMN2ALDH1A1POLB
SCHEMBL5452460 0.78 SMN1; SMN2 (0.69) ALOX12HTTSMN1; SMN2GAAALDH1A1
SCHEMBL28472390 0.77 SMN1; SMN2 (0.56) ALOX12HTTSMN1; SMN2GAAALDH1A1

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 10 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
EP-0116628-B1 1-ACYL-3-PYRIDYLMETHYLGUANIDINES AND THEIR USE AS ANTIHYPERTENSIVE AGENTS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-01-18 EP disclosed
EP-0116628-A4 1-ACYL-3-PYRIDYLMETHYLGUANIDINES AND THEIR USE AS ANTIHYPERTENSIVE AGENTS. RORER INTERNAT OVERSEAS INC (US) 1985-02-18 EP disclosed
EP-0116628-A4 1-ACYL-3-PYRIDYLMETHYLGUANIDINES AND THEIR USE AS ANTIHYPERTENSIVE AGENTS. RORER INTERNAT OVERSEAS INC (US) 1985-02-18 EP disclosed
US-4496573-A 1-Pyridylmethyl-3-acyl guanidines WILLIAM H. RORER, INC. (US) 1985-01-29 US disclosed
EP-0116628-A1 1-ACYL-3-PYRIDYLMETHYLGUANIDINES AND THEIR USE AS ANTIHYPERTENSIVE AGENTS. RORER INT OVERSEAS (US) 1984-08-29 EP disclosed
EP-0116628-A1 1-ACYL-3-PYRIDYLMETHYLGUANIDINES AND THEIR USE AS ANTIHYPERTENSIVE AGENTS. RORER INT OVERSEAS (US) 1984-08-29 EP disclosed
WO-1984000963-A1 1-ACYL-3-PYRIDYLGUANIDINES AND THEIR USE AS ANTIHYPERTENSIVE AGENTS RORER INT OVERSEAS (US) 1984-03-15 WO disclosed
WO-1984000963-A1 1-ACYL-3-PYRIDYLGUANIDINES AND THEIR USE AS ANTIHYPERTENSIVE AGENTS RORER INT OVERSEAS (US) 1984-03-15 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 ALOX12 1857/4885HTT 61/4885SMN1; SMN2 1825/4885

“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.