SCHEMBL21486338

SCHEMBL21486338

Cc1ccc(Oc2c(F)cccc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD4 Q15561 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
ACHE P22303 2/20 0.41
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A4 P31645 2/20 0.39
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GCK P35557 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL19602284 0.79 ACHE (0.52) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL17423587 0.78 MAPT (0.45) MAPTALDH1A1POLBLPAR1LPAR5
SCHEMBL5539624 0.78 LPAR1 (0.40) MAPTPOLBLPAR1LPAR5SLC6A4
SCHEMBL1129355 0.78 MAPT (0.45) MAPTALDH1A1POLBLPAR1LPAR5
SCHEMBL15515736 0.78 ALDH1A1 (0.54) TEAD4MEN1KMT2AMAPTALDH1A1
SCHEMBL13861391 0.78 LPAR1 (0.40) MAPTPOLBLPAR1LPAR5SLC6A4
SCHEMBL3874015 0.78 TEAD4 (0.59) TEAD4MEN1KMT2AMAPTALDH1A1
SCHEMBL18181866 0.78 SLC6A4 (0.45) TEAD4MEN1KMT2AMAPTALDH1A1
SCHEMBL8035743 0.77 PARP10 (0.56) TEAD4MEN1KMT2AMAPTALDH1A1
SCHEMBL16415975 0.75 SLC6A2 (0.45) ACHELPAR1LPAR5SLC6A4HTR1A

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-20210147428-A1 METHOD FOR PREPARING PYRROLOAMINOPYRIDAZINONE COMPOUND AND INTERMEDIATES THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-05-20 US disclosed
WO-2019196915-A1 METHOD FOR PREPARING PYRROLOAMINOPYRIDAZINONE COMPOUND AND INTERMEDIATES THEREOF 江苏恒瑞医药股份有限公司 2019-10-17 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-20210147428-A1 METHOD FOR PREPARING PYRROLOAMINOPYRIDAZINONE COMPOUND AND INTERMEDIATES THEREOF DHPS, PPOX, PNPO TEAD4 2859/4885MEN1 2295/4885KMT2A 2818/4885

“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.