SCHEMBL13873045

SCHEMBL13873045

CNCCSC1=NCCN1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.40
MAPT P10636 9/20 0.40
CYP2D6 P10635 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40
GFER P55789 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.35

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
SCHEMBL10945481 0.77 ALDH1A1 (0.61) ALDH1A1GAAMAPTCYP2D6SMN1; SMN2
SCHEMBL10726585 0.76 ALDH1A1 (0.54) ALDH1A1GAAMAPTCYP2D6SMN1; SMN2
SCHEMBL6773584 0.75
SCHEMBL11584636 0.75
SCHEMBL4790582 0.74 ALDH1A1 (0.53) ALDH1A1GAAMAPTCYP2D6SMN1; SMN2
Hydrochloric Acid SCHEMBL10726402 0.74 ALDH1A1 (0.53) ALDH1A1GAAMAPTCYP2D6SMN1; SMN2
SCHEMBL10293223 0.74
SCHEMBL24133884 0.74 ALDH1A1 (0.57) ALDH1A1GAAMAPTCYP2D6SMN1; SMN2
SCHEMBL10730506 0.73 ALDH1A1 (0.51) ALDH1A1GAAMAPTCYP2D6SMN1; SMN2
Bromide SCHEMBL11700718 0.72

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-20090093452-A1 Pyrrole, Thiophene, Furan, Imidazole, Oxazole, and Thiazole Derivatives PFIZER INC. 2009-04-09 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 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 (2 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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, CCNB3 ALDH1A1 580/4885GAA 4387/4885MAPT 3953/4885
US-20090093452-A1 Pyrrole, Thiophene, Furan, Imidazole, Oxazole, and Thiazole Derivatives JAK3, JAK2, FLT4 ALDH1A1 1279/4885GAA 4028/4885MAPT 4202/4885

“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.