SCHEMBL29414647

SCHEMBL29414647

Nc1ccccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
ALDH1A1 P00352 3/20 1.00
GAA P10253 3/20 1.00
RAB9A P51151 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
KDM4E B2RXH2 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
GFER P55789 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
RXFP1 Q9HBX9 2/20 0.57
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
IDH2 P48735 2/20 0.55
PTGS1 P23219 2/20 0.55
ADORA2A P29274 1/20 0.55
YAP1 P46937 1/20 0.55

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
SCHEMBL4064881 1.00 MAPT (1.00) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL1921484 0.88 MAPT (0.77) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL6295118 0.87 MAPT (0.77) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL28465275 0.86 MAPT (0.76) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL7166997 0.82 MAPT (0.75) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL20693799 0.81 ALDH1A1 (0.69) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL21856308 0.81 MAPT (0.68) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL29824523 0.81 MAPT (0.68) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL11566545 0.81 ALDH1A1 (0.68) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL15875869 0.81 MAPT (0.68) MAPTALDH1A1GAARAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 US disclosed
CN-111747933-B Substituted 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2022-03-01 CN 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-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 MAPT 342/4885ALDH1A1 2662/4885GAA 4225/4885

“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.