SCHEMBL19002042

SCHEMBL19002042

CC1(C)N=C(c2ccc(Cl)cc2N)CO1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
IDO1 P14902 3/20 0.38
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
BACE1 P56817 1/20 0.33
KCNH2 Q12809 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 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
SCHEMBL27185985 0.68 ALDH1A1 (0.65) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL30839752 0.68 ALDH1A1 (0.65) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL30839712 0.68 ALDH1A1 (0.65) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL8515228 0.67 CYP3A4 (0.40) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL2917568 0.65 NOTUM (0.57) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL28859723 0.63 CYP3A4 (0.94) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL14906969 0.62 ALDH1A1 (0.56) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL29353542 0.61
SCHEMBL216307 0.61
SCHEMBL11214035 0.61 TSHR (0.58) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2

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-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2020-10-13 US disclosed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US disclosed
WO-2017103615-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2017-06-22 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 (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-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor NDUFB7, NDUFB3, NDUFB5 CYP3A4 450/4885TSHR 3918/4885ALDH1A1 846/4885
US-20190151305-A1 COMBINATION PRODUCT NDUFB5, NDUFB7, NDUFB10 CYP3A4 314/4885TSHR 3855/4885ALDH1A1 857/4885

“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.