SCHEMBL22492801

SCHEMBL22492801

O=C(c1ccccc1)c1sccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
RAB9A P51151 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.57
MPO P05164 4/20 0.53
RXFP1 Q9HBX9 3/20 0.51
KCNK3 O14649 1/20 0.51
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
LMNA P02545 1/20 0.50
CSNK2A1 P68400 1/20 0.49
YAP1 P46937 1/20 0.49
TEAD4 Q15561 1/20 0.49
TEAD2 Q15562 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL22492805 0.84 CDK2 (0.57) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL22492833 0.81 SIRT2 (0.48) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL19657901 0.80 RXFP1 (0.70) MAPTRAB9AMPORXFP1AKR1C3
SCHEMBL22492839 0.78 CSNK2A1 (0.49) RAB9AMEN1KMT2ANPC1KCNK3
SCHEMBL22492821 0.78 CSNK2A1 (0.49) MAPTMEN1KMT2ALMNACSNK2A1
SCHEMBL22492828 0.77 CCNA2 (0.52) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL22492843 0.74 CSNK2A1 (0.38) MAPTRAB9ANPC1CSNK2A1ALDH1A1
SCHEMBL22492819 0.74 MAPK8 (0.55) MAPTMEN1KMT2AMPORXFP1
SCHEMBL22492764 0.73 RAB9A (0.52) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6109904 0.73 AKR1C3 (0.85) MAPTRAB9AMEN1KMT2ANPC1

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-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION UNIV CALIFORNIA (US) 2021-06-24 US disclosed
US-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION UNIV CALIFORNIA (US) 2021-06-24 US disclosed
EP-3717450-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION The Regents of the University of California (US) 2020-10-07 EP 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-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION HGF, CXCL12, CCL11 MAPT 4809/4885RAB9A 2807/4885MEN1 4094/4885

“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.