SCHEMBL7978757

SCHEMBL7978757

N=C(N)Nc1ccc(C(=O)O)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 2/20 0.48
KLK5 Q9Y337 2/20 0.48
RARA P10276 2/20 0.47
RARB P10826 2/20 0.47
RARG P13631 1/20 0.47
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
HDAC1 Q13547 2/20 0.43
PYGL P06737 2/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40

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
SCHEMBL28779396 0.84 TDP1 (0.43) F2PLAUPYGLRAB9ANPC1
Hydrochloric Acid SCHEMBL28779394 0.83 TDP1 (0.42) F2PLAUPYGLRAB9ANPC1
SCHEMBL7965219 0.83 F2 (0.52) KLK1KLK5F2F10PLG
SCHEMBL15790439 0.82 RARA (0.51) RARARARBRARGF2F10
SCHEMBL19526332 0.81 KMT2A (0.59) F2F10PLGPLAUPLAT
SCHEMBL10286004 0.81 RARA (0.45) KLK1KLK5RARARARBRARG
SCHEMBL7348784 0.80 SMN1; SMN2 (0.50) KLK1KLK5PLAUPYGLRAB9A
SCHEMBL2745967 0.80 CYP1A2 (0.49) KLK1KLK5F2F10PLG
SCHEMBL1966151 0.79 HDAC1 (0.58) RARARARBRARGHDAC1RAB9A
SCHEMBL27761964 0.79 KDM4E (0.58) RARARARBRARGHDAC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 KLK1 3035/4885KLK5 2450/4885RARA 3799/4885

“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.