SCHEMBL18996622

SCHEMBL18996622

Cc1ccc(C(F)(F)F)c(-c2ccc(NC(=O)c3cncnc3)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ TRPV1 Q8NER1 2/20 0.44
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ DEGS1 O15121 1/20 0.42
▸ PTGS1 P23219 3/20 0.41
▸ BRAF P15056 1/20 0.40

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
SCHEMBL19001553 0.88 TRPV1 (0.53) TRPV1TSHRDEGS1PTGS1BRAF
SCHEMBL18979433 0.72 DEGS1 (0.53) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL31672286 0.72 DEGS1 (0.53) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL18979442 0.72 DEGS1 (0.63) RAB9ANPC1TP53TSHRNFKB1
SCHEMBL18996621 0.72 DEGS1 (0.63) RAB9ANPC1KDM4ESMN1; SMN2DEGS1
SCHEMBL18979440 0.70 DEGS1 (0.49) RAB9ANPC1TP53NFKB1NFKB2
SCHEMBL18979502 0.70 DEGS1 (0.58) RAB9ANPC1KDM4EDEGS1
SCHEMBL31672276 0.70 DEGS1 (0.67) RAB9ANPC1TSHRSMN1; SMN2ALDH1A1
SCHEMBL18979414 0.70 DEGS1 (0.67) RAB9ANPC1TSHRSMN1; SMN2ALDH1A1
SCHEMBL15853484 0.70 ALDH1A1 (0.57) RAB9ANPC1KDM4ETP53TSHR

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-10016398-B2 Antimitotic amides for the treatment of cancer and proliferative disorders FROST BIOLOGIC, INC. (US) 2018-07-10 — — US disclosed
US-20170172984-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC, INC. (US) 2017-06-22 — — 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-10016398-B2 Antimitotic amides for the treatment of cancer and proliferative disorders CCNA1, CCNE1, CCNB1 RAB9A 143/4885NPC1 1272/4885POLB 615/4885
US-20170172984-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS CCNA1, CCNE1, CCNB1 RAB9A 143/4885NPC1 1272/4885POLB 615/4885

“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.

Send feedback