SCHEMBL1070964

SCHEMBL1070964

CNC(=O)NCCNC(=S)Nc1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MAPT P10636 4/20 0.60
LMNA P02545 2/20 0.60
GAA P10253 5/20 0.57
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
EPHX2 P34913 2/20 0.53
IDO1 P14902 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 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
SCHEMBL1011860 0.80 KMT2A (0.44) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL2425405 0.80 ALDH1A1 (0.55) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL5443637 0.79 IDO1 (0.69) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL16480211 0.79 RAB9A (0.65) MAPTLMNAGAAKMT2AMEN1
SCHEMBL15074689 0.77 GAA (0.58) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL25633561 0.75 IDO1 (0.79) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL28259440 0.75 ALDH1A1 (1.00) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL18330292 0.74 MAPT (0.63) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL12411794 0.73 MEN1 (0.62) MAPTGAAKMT2AMEN1HPGD
SCHEMBL19277750 0.73 GAA (1.00) ALDH1A1MAPTLMNAGAAKMT2A

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-20110039848-A1 FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-17 US disclosed
US-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
EP-2272844-A1 FIVE-MEMBERED RING COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-12 EP 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-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND CCL11, CCR1, CCR10 ALDH1A1 2564/4885MAPT 4799/4885LMNA 4342/4885
US-20110039848-A1 FIVE-MEMBERED RING COMPOUND IL5, EPX, CCL11 ALDH1A1 2744/4885MAPT 4510/4885LMNA 4443/4885

“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.