SCHEMBL7193391

SCHEMBL7193391

O=C(Cl)c1cccc(NC(=O)C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
MAPT P10636 3/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 1/20 0.45
RHOC P08134 1/20 0.45
RHOA P61586 1/20 0.45
PARP1 P09874 1/20 0.44
NPY5R Q15761 2/20 0.44
HDAC1 Q13547 1/20 0.43

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
SCHEMBL1875367 0.85 L3MBTL1 (0.73) L3MBTL1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL712088 0.85 L3MBTL1 (0.63) L3MBTL1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL20981664 0.84 L3MBTL1 (0.82) L3MBTL1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL10277409 0.83 L3MBTL1 (0.61) L3MBTL1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL5545392 0.79 L3MBTL1 (0.65) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2104422 0.78 RAB9A (0.69) NPC1RAB9AMAPTRHOCRHOA
SCHEMBL7194329 0.78 RAB9A (0.56) L3MBTL1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL2328579 0.77 ALDH1A1 (0.59) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL826360 0.77 L3MBTL1 (0.67) L3MBTL1NPC1RAB9AALDH1A1MAPT
SCHEMBL5546915 0.77 L3MBTL1 (0.67) L3MBTL1NPC1RAB9A

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-6590123-B2 For cancer theapy MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY 2003-07-08 US disclosed
US-20020022747-A1 Aminobenzoic acid derivatives having anti-tumorigenic activity, methods of making and using the same BEKESI GEORGE J (US) 2002-02-21 US disclosed
US-6294695-B1 HALOACETOAMIDOBENZOYLUREAS OR ETHYL HALOACETOAMIDOBENZOATES MOUNT SINAI SCHOOL OF MEDICINE OF THE CITY UNIVERSITY OF NEW YORK 2001-09-25 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-20020022747-A1 Aminobenzoic acid derivatives having anti-tumorigenic activity, methods of making and using the same ABAT, DDC, GABBR2 L3MBTL1 759/4885NPC1 3799/4885RAB9A 2444/4885

“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.