SCHEMBL2783145

SCHEMBL2783145

O=C(NC(=S)Nc1cc(Br)ccn1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.68
RAB9A P51151 10/20 0.68
PKM P14618 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
KCNH2 Q12809 1/20 0.60
KMT2A Q03164 1/20 0.59
EPHX1 P07099 3/20 0.58
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 1/20 0.51
STAT1 P42224 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL16620629 0.86 NPC1 (0.61) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL29899082 0.86 NPC1 (0.61) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL2862565 0.84 NPC1 (0.68) NPC1RAB9APKMNPSR1KMT2A
SCHEMBL2682648 0.81 RAB9A (1.00) NPC1RAB9APKMNPSR1KMT2A
SCHEMBL29078756 0.79 NPC1 (0.62) NPC1RAB9APKMNPSR1KMT2A
SCHEMBL3662241 0.78 EPHX1 (0.67) NPC1RAB9ANPSR1KCNH2EPHX1
SCHEMBL2832098 0.78 NPC1 (0.72) NPC1RAB9APKMNPSR1KCNH2
SCHEMBL15012132 0.77 NPC1 (0.58) NPC1RAB9APKMNPSR1KCNH2
SCHEMBL27039938 0.77 NPC1 (0.58) NPC1RAB9APKMNPSR1KMT2A
SCHEMBL18342290 0.76 ALDH1A1 (0.72) NPC1RAB9AKMT2AEPHX1POLB

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 2 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

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 NPC1 2234/4885RAB9A 1031/4885PKM 3130/4885

“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.