SCHEMBL1906407

SCHEMBL1906407

Cc1ccnn1-c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
GRM4 Q14833 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
FGFR1 P11362 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1906551 0.85 LMNA (0.32) LMNA
SCHEMBL28792402 0.72 CA12 (0.42) CYP1A2KMT2AALDH1A1HPGDGRM4
SCHEMBL29629574 0.72 PIM1 (0.41) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL6663759 0.70 HCAR2 (0.38) LMNAKDM5AKDM4CKDM5BMEN1
SCHEMBL1906618 0.70 SRC (0.32) CYP1A2FGFR1SRC
SCHEMBL1906388 0.69 ALDH1A1 (0.31) KDM4EALDH1A1HPGDGRM4NPC1
SCHEMBL29285984 0.69 GRM4 (0.45) KDM5BMEN1KMT2AKDM4EALDH1A1
SCHEMBL8694456 0.69 GRM4 (0.36) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL1906583 0.68 KDM5A (0.34) KDM5AKDM4CKDM5B
SCHEMBL255499 0.67 POLB (0.57) LMNACYP1A2KDM5AKDM4CKDM5B

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
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 LMNA 3462/4885CYP1A2 4590/4885KDM5A 3655/4885

“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.