SCHEMBL17106896

SCHEMBL17106896

S=C1CC=CC=C1c1c[nH]c(SCc2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ CTSB P07858 11/20 0.38
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAOB P27338 1/20 0.34
▸ TOP2A P11388 1/20 0.34

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
SCHEMBL6629853 0.73 HTT (0.50) KMT2ASMN1; SMN2MEN1MAPTPPARG
SCHEMBL14577156 0.69 CCR1 (0.44) KMT2ASMN1; SMN2MEN1MAPTPPARG
SCHEMBL631738 0.68 S100A4 (0.33) —
SCHEMBL6628026 0.65 LMNA (0.52) KMT2ASMN1; SMN2MEN1MAPTCTSB
SCHEMBL6623681 0.65 RAB9A (0.47) KMT2ASMN1; SMN2MEN1MAPTPPARG
SCHEMBL10786966 0.64 RAB9A (0.44) KMT2ASMN1; SMN2MEN1MAPTRAB9A
SCHEMBL16653954 0.64 POLB (0.32) SMN1; SMN2PPARGNPSR1ALDH1A1HPGD
SCHEMBL3715462 0.64 HPGD (0.45) KMT2ASMN1; SMN2MEN1MAPTPPARG
SCHEMBL562753 0.63 KDM4E (0.43) KMT2ASMN1; SMN2MAPTRAB9ANPC1
SCHEMBL10446539 0.63 ALDH1A1 (0.32) ALDH1A1

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-9425413-B2 Conjugated side-strapped phthalocyanines and methods for producing and using the same THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2016-08-23 — — US disclosed
US-20150280143-A1 Conjugated Side-Strapped Phthalocyanines and Methods For Producing and Using The Same UNITED STATES DEPARTMENT OF ENERGY 2015-10-01 — — 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-20150280143-A1 Conjugated Side-Strapped Phthalocyanines and Methods For Producing and Using The Same STRA6, INCENP, LCP1 KMT2A 1319/4885SMN1; SMN2 119/4885MEN1 760/4885

“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.

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