SCHEMBL18749698

SCHEMBL18749698

CNC(=O)Cc1cccc(F)c1COc1cc(C)c(C)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ DHODH Q02127 2/20 0.40
▸ INPPL1 O15357 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ MRGPRX4 Q96LA9 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ P2RX7 Q99572 2/20 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
SCHEMBL18515267 0.93 TP53 (0.41) TP53ALDH1A1POLBSMN1; SMN2DHODH
SCHEMBL18749647 0.90 SLC22A12 (0.43) ALDH1A1SMN1; SMN2RAB9AMRGPRX4P2RX7
SCHEMBL18749859 0.90 KMT2A (0.41) TP53ALDH1A1LMNAMRGPRX4
SCHEMBL18749892 0.90 MRGPRX4 (0.39) TP53ALDH1A1LMNARAB9AMRGPRX4
SCHEMBL18749862 0.90 MAPT (0.44) TP53ALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL18749980 0.89 MRGPRX4 (0.40) SMN1; SMN2RAB9AMRGPRX4
SCHEMBL18749782 0.88 MRGPRX4 (0.47) TP53ALDH1A1POLBDHODHMRGPRX4
SCHEMBL18749701 0.88 MRGPRX4 (0.38) RAB9AMRGPRX4
SCHEMBL18749678 0.88 SMN1; SMN2 (0.46) ALDH1A1POLBSMN1; SMN2DHODHINPPL1
SCHEMBL18749787 0.87 MRGPRX4 (0.38) RAB9AMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9907307-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-06 — — US disclosed
US-9788547-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 — — US disclosed
US-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 — — US disclosed
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 — — 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 (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-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-0 TP53 1248/4885ALDH1A1 1238/4885POLB 4673/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 TP53 1755/4885ALDH1A1 1416/4885POLB 4487/4885

“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.

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