SCHEMBL2750648

SCHEMBL2750648

Clc1ccc(-c2cn[c]s2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.46
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
KMO O15229 3/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
NOTUM Q6P988 1/20 0.37
DHFR P00374 1/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
HRH1 P35367 1/20 0.35
NPY5R Q15761 1/20 0.34
HAO1 Q9UJM8 1/20 0.33
IDO1 P14902 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1900288 0.76 BACE1 (0.41) CYP1B1RAB9ANPC1NOTUMDHFR
SCHEMBL2751201 0.75 TSHR (0.33)
SCHEMBL2750867 0.74 HSD17B1 (0.40) KDM4EKMOALDH1A1RAB9ANPC1
SCHEMBL2751757 0.70 PDE4A (0.43) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL2750673 0.70 ALDH1A1 (0.40) KDM4EALDH1A1LMNAHTT
SCHEMBL69540 0.70 KDR (0.40) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL2753459 0.69 FGFR1 (0.35) LMNA
SCHEMBL22608078 0.69 AHR (0.50) AHRCYP1B1KDM4EMAPTKMO
SCHEMBL2750715 0.69 AHR (0.50) AHRCYP1B1KDM4EMAPTKMO
SCHEMBL4867372 0.69 MAP4K4 (0.47) KDM4EMAPTALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116406359-A Bicyclo [1.1.1] pentanes for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2023-07-07 CN claimed
CN-116406359-A Bicyclo [1.1.1] pentanes for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2023-07-07 CN disclosed
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 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 (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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 AHR 688/4885CYP1B1 1464/4885KDM4E 1607/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 AHR 299/4885CYP1B1 622/4885KDM4E 242/4885

“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.