SCHEMBL21344007

SCHEMBL21344007

O=Cc1c(C2CC2)ccc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CEL P19835 2/20 0.33
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL17981532 0.81 MEN1 (0.36) ALDH1A1MEN1KMT2ATDP1CEL
SCHEMBL319907 0.81 MEN1 (0.59) ALDH1A1MEN1KMT2ATDP1CEL
SCHEMBL954689 0.77 MEN1 (0.41) ALDH1A1MEN1KMT2ATDP1GRIA1
SCHEMBL19671578 0.76 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ATDP1CEL
SCHEMBL189622 0.74 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ATDP1HTR2A
SCHEMBL30660275 0.71 TDP1 (0.44) ALDH1A1MEN1KMT2ATDP1
SCHEMBL18299302 0.70 STS (0.33) MEN1KMT2ASLC6A3
SCHEMBL321198 0.69 ERN1 (0.37) ALDH1A1MEN1KMT2ATDP1SLC6A3
SCHEMBL956784 0.69 HTR2C (0.44) ALDH1A1MEN1KMT2ATDP1HTR2C
SCHEMBL24512766 0.69 ALDH1A1 (0.55) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689369-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2020-06-23 US disclosed
US-20190276438-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2019-09-12 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-20190276438-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA ALDH1A1 446/4885MEN1 2764/4885KMT2A 1551/4885
US-10689369-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof RORB, RORC, RORA ALDH1A1 446/4885MEN1 2764/4885KMT2A 1551/4885

“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.