SCHEMBL21552230

SCHEMBL21552230

O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.58
DYRK1A Q13627 2/20 0.57
CSNK1D P48730 6/20 0.56
KMT2A Q03164 2/20 0.53
MMP13 P45452 1/20 0.53
ACP1 P24666 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MCL1 Q07820 1/20 0.52
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
CYP2D6 P10635 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL2743007 0.86 KMT2A (0.72) SCDDYRK1AKMT2AMMP13ACP1
SCHEMBL31349444 0.82 KMT2A (0.68) DYRK1AKMT2AACP1NPC1RAB9A
SCHEMBL31349449 0.82 KMT2A (0.68) DYRK1AKMT2AACP1NPC1RAB9A
SCHEMBL594516 0.82 SCD (0.69) SCDDYRK1AKMT2AMMP13NPC1
SCHEMBL12095405 0.79 NPC1 (0.78) SCDDYRK1AKMT2AMMP13ACP1
SCHEMBL14375443 0.77 SCD (0.69) SCDDYRK1AKMT2AMMP13NPC1
SCHEMBL16747337 0.76 DYRK1A (0.77) SCDDYRK1AKMT2AACP1NPC1
SCHEMBL10308069 0.75 ABCG2 (0.54) KMT2ANPC1RAB9AMAPTGAA
SCHEMBL23529343 0.75 RAB9A (0.68) DYRK1ACSNK1DMMP13ACP1NPC1
SCHEMBL3791611 0.75 DYRK1A (0.78) DYRK1ACSNK1DACP1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287098-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2024-08-29 US disclosed
US-11731985-B2 Compositions and methods for treating cancer HB THERAPEUTICS INC. (US) 2023-08-22 US disclosed
US-11731985-B2 Compositions and methods for treating cancer HB THERAPEUTICS INC. (US) 2023-08-22 US disclosed
US-11731985-B2 Compositions and methods for treating cancer HB THERAPEUTICS INC. (US) 2023-08-22 US disclosed
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2021-04-22 US disclosed
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2021-04-22 US disclosed
WO-2019217509-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2019-11-14 WO 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 (3 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-11731985-B2 Compositions and methods for treating cancer VHL, TP53, NUDT1 SCD 4478/4885DYRK1A 4664/4885CSNK1D 3599/4885
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 SCD 4591/4885DYRK1A 4618/4885CSNK1D 3509/4885
US-20240287098-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 SCD 4478/4885DYRK1A 4664/4885CSNK1D 3599/4885

“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.