SCHEMBL3768797

SCHEMBL3768797

O=C(NCc1cccnc1)c1cccc(NC(=O)c2ccccc2Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.61
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 3/20 0.59
GAA P10253 1/20 0.59
TSHR P16473 1/20 0.58
PPARG P37231 1/20 0.57
NPC1 O15118 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CSF1R P07333 1/20 0.55
HTT P42858 2/20 0.55
KCNK3 O14649 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55
MAPT P10636 2/20 0.55
NAMPT P43490 1/20 0.55

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
SCHEMBL3778572 0.88 PPARG (0.73) LMNASMN1; SMN2ALDH1A1PPARGNPC1
SCHEMBL7605675 0.85 HTT (0.72) LMNASMN1; SMN2ALDH1A1TSHRPPARG
SCHEMBL11625657 0.84 USP2 (0.72) CYP11B2LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL14322942 0.82 ALDH1A1 (0.70) CYP11B2LMNASMN1; SMN2ALDH1A1NAMPT
SCHEMBL3771459 0.81 ALDH1A1 (0.70) LMNASMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL7608638 0.80 KMT2A (0.58) LMNASMN1; SMN2ALDH1A1TSHRCSF1R
SCHEMBL1254144 0.79 ALB (0.57) LMNAALDH1A1GAAHTTMAPT
SCHEMBL30572165 0.79 ALB (0.57) LMNAALDH1A1GAAHTTMAPT
SCHEMBL11626565 0.79 NPC1 (0.81) LMNASMN1; SMN2ALDH1A1GAATSHR
SCHEMBL8561634 0.79 EPHX1 (0.60) LMNASMN1; SMN2ALDH1A1GAATSHR

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-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US claimed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 CYP11B2 4/4885LMNA 2648/4885SMN1; SMN2 1085/4885

“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.