SCHEMBL7079353

SCHEMBL7079353

COc1ccccc1-c1ccc(C(=O)N2CC3=C(Nc4ccccc42)N(C)CC=C3)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.44
AVPR1A P37288 4/20 0.44
HSD17B3 P37058 1/20 0.40
OXTR P30559 1/20 0.40
BRD4 O60885 2/20 0.38
ALDH1A1 P00352 1/20 0.37
P2RX7 Q99572 1/20 0.36
CHEK1 O14757 1/20 0.36
DHODH Q02127 2/20 0.35
ABCB1 P08183 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5104515 0.89 AVPR2 (0.46) AVPR2AVPR1AOXTRBRD4ALDH1A1
SCHEMBL4138728 0.75 HSD17B3 (0.48) AVPR2AVPR1AHSD17B3ALDH1A1PDK1
SCHEMBL4138774 0.70 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL4137666 0.70 AVPR2 (0.61) AVPR2AVPR1AHSD17B3ALDH1A1P2RX7
SCHEMBL13602473 0.66 DHODH (0.53) HSD17B3CHEK1DHODHPDK2
SCHEMBL14758325 0.65 LMNA (0.58) BRD4ALDH1A1TSHRMEN1KMT2A
SCHEMBL31284096 0.63 TUBB4A (0.70) BRD4ALDH1A1CHEK1
SCHEMBL4146709 0.62 AVPR2 (0.49) AVPR2AVPR1AOXTR
SCHEMBL13689895 0.62 DHODH (0.47) HSD17B3CHEK1DHODHPDK2
SCHEMBL31284255 0.61 TUBB4A (0.67) BRD4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030018024-A1 Biphenyl vasopressin agonists WYETH 2003-01-23 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-20030018024-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, AVPR1A AVPR2 1/4885AVPR1A 3/4885HSD17B3 356/4885

“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.