SCHEMBL18622667

SCHEMBL18622667

Cc1ccc(N2CCN=C2N)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ SIGMAR1 Q99720 2/20 0.44
▸ LMNA P02545 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTK2B Q14289 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37

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
Bromide SCHEMBL18606181 0.98 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10TP53HPGD
SCHEMBL18622664 0.83 SMARCA2 (0.46) ALDH1A1SIGMAR1LMNAHDAC8POLB
Bromide SCHEMBL18606167 0.82 SMARCA2 (0.44) ALDH1A1ALOX15HSD17B10TP53HPGD
SCHEMBL5394610 0.77 SIGMAR1 (0.44) ALDH1A1ALOX15HSD17B10TP53HPGD
Bromide SCHEMBL18606183 0.75 SIGMAR1 (0.46) ALDH1A1ALOX15HSD17B10TP53HPGD
SCHEMBL8295478 0.74 SIGMAR1 (0.66) ALDH1A1ALOX15HSD17B10TP53HPGD
SCHEMBL18622665 0.73 SIGMAR1 (0.42) ALDH1A1HSD17B10TP53SIGMAR1LMNA
SCHEMBL10686734 0.71 HTT (0.48) ALDH1A1ALOX15HSD17B10TP53HPGD
SCHEMBL28862100 0.71 SIGMAR1 (0.55) ALDH1A1ALOX15HSD17B10TP53HPGD
SCHEMBL2836561 0.69 MAPT (0.51) ALDH1A1TP53HPGDLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3347341-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-04-28 — — EP disclosed
US-9758491-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-09-12 — — US disclosed
US-9758491-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-09-12 — — US disclosed
US-20170073316-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-16 — — US disclosed
WO-2017044314-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-16 — — WO disclosed
US-20170073316-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-16 — — 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 (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-20170073316-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD ALDH1A1 443/4885ALOX15 777/4885HSD17B10 2420/4885

“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