SCHEMBL2803544

SCHEMBL2803544

Cc1cccc(C2CCN(C(=O)c3cnc4c(C(=O)NS(C)(=O)=O)cnn4c3NCc3ccccc3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 7/20 0.40
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP5 P45974 1/20 0.38
AXL P30530 1/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
THRB P10828 1/20 0.36
SPR P35270 1/20 0.36
DRD2 P14416 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL2799687 0.93 STAT6 (0.40) TPSAB1SMN1; SMN2AXLFLT3TYRO3
SCHEMBL2802391 0.92 SMN1; SMN2 (0.41) TP53SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL2801662 0.92 TP53 (0.42) TPSAB1TP53SMN1; SMN2NPC1MAPT
SCHEMBL2798553 0.89 THRB (0.37) TPSAB1TP53SMN1; SMN2TDP1AXL
SCHEMBL2800890 0.89 NTRK1 (0.40) TPSAB1TP53NPC1ALDH1A1
SCHEMBL2801433 0.89 TP53 (0.39) TPSAB1TP53MAPTTHRBKDM4E
SCHEMBL2802693 0.88 TP53 (0.41) TP53SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL2800864 0.88 CCR1 (0.42) TP53SMN1; SMN2THRB
SCHEMBL2799741 0.88 CHRM4 (0.40) TP53SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL2802186 0.87 VNN1 (0.43) TPSAB1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 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 (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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 TPSAB1 563/4885TP53 241/4885SMN1; SMN2 2769/4885

“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.