SCHEMBL19972049

SCHEMBL19972049

Cc1cc(C)c(N)c(S)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 8/20 0.46
▸ TSHR P16473 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ LMNA P02545 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ POLB P06746 3/20 0.39
▸ RAPGEF4 Q8WZA2 2/20 0.38
▸ NOS3 P29474 2/20 0.37
▸ NOS1 P29475 2/20 0.37
▸ NOS2 P35228 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ NUDT1 P36639 1/20 0.34
▸ RAD52 P43351 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPK1 P28482 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
SCHEMBL139002 0.82 ALDH1A1 (0.65) KDM4EALDH1A1TSHRTDP1CYP3A4
Hydrochloric Acid SCHEMBL5621296 0.79 ALDH1A1 (0.61) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL30578150 0.79 ALDH1A1 (0.61) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL28217273 0.79 ALDH1A1 (0.61) KDM4EALDH1A1TSHRTDP1CYP3A4
Ammonia Solution, Strong SCHEMBL27673313 0.79 ALDH1A1 (0.61) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL30578152 0.79 ALDH1A1 (0.61) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL28908462 0.79 ALDH1A1 (0.61) KDM4EALDH1A1TSHRTDP1CYP3A4
Methane SCHEMBL2038793 0.79 ALDH1A1 (0.61) KDM4EALDH1A1TSHRTDP1CYP3A4
Bromide SCHEMBL29858695 0.79 ALDH1A1 (0.61) KDM4EALDH1A1TSHRTDP1CYP3A4
Nitrogen SCHEMBL9310956 0.77 ALDH1A1 (0.58) KDM4EALDH1A1TSHRTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 — — US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 — — US disclosed
CN-107531652-A Aromatic diamine, intermediate thereof, and processes for producing these 精化株式会社 2018-01-02 — — CN 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-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 KDM4E 1441/4885ALDH1A1 544/4885TSHR 4030/4885

“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.

Send feedback