SCHEMBL3139534

SCHEMBL3139534

Nc1nc(-c2ccc(-n3nncc3-c3ccccc3)cc2)cs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.69
ALDH1A1 P00352 6/20 0.62
MAPK1 P28482 1/20 0.62
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP3A4 P08684 2/20 0.55
TSHR P16473 1/20 0.52
POLB P06746 1/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.51
PTGS1 P23219 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
SCHEMBL3760446 0.80 TSHR (0.71) ALDH1A1LMNASMN1; SMN2CYP3A4TSHR
SCHEMBL11904310 0.77 TSHR (0.71) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2907964 0.76 ALDH1A1 (1.00) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL1395472 0.76 TSHR (0.70) ALDH1A1LMNACYP3A4TSHRHTT
SCHEMBL44869 0.76 ALDH1A1 (1.00) ALDH1A1NPC1RAB9AKDM4EMEN1
Bromide SCHEMBL7128948 0.74 ALDH1A1 (0.96) ALDH1A1NPC1RAB9AKDM4EMEN1
Bromide SCHEMBL5325472 0.73 ALDH1A1 (1.00) ALDH1A1NPC1RAB9AKDM4EMEN1
Hydrochloric Acid SCHEMBL5450269 0.73 ALDH1A1 (0.92) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL2898123 0.72 FLT3 (0.73) ALDH1A1MAPTCYP3A4TSHRHTT
SCHEMBL28270531 0.72 PTGS1 (0.61) ALDH1A1LMNAMAPTCYP3A4TSHR

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-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 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-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 L3MBTL1 715/4885ALDH1A1 4423/4885MAPK1 4414/4885

“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.