SCHEMBL20908975

SCHEMBL20908975

O=C(Cc1ccc([N+](=O)[O-])cc1)N(CCCCl)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
REN P00797 2/20 0.55
MC4R P32245 1/20 0.52
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
CNR2 P34972 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL20908739 0.89 MMP1 (0.48) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL20908743 0.86 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL3697518 0.80 NAMPT (0.63) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL22766532 0.77 OPRK1 (0.48) ALDH1A1MEN1KMT2AKDM4ESIGMAR1
SCHEMBL7598909 0.77 CRHBP (0.58) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL27448293 0.77 CRHBP (0.57) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL22766731 0.76 OPRK1 (0.50) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL22766813 0.75 OPRK1 (0.52) ALDH1A1MEN1KMT2AKDM4ESIGMAR1
SCHEMBL5506263 0.75 REN (0.51) ALDH1A1LMNASMN1; SMN2RENMEN1
SCHEMBL21800147 0.74 CRHBP (0.55) CRHBPCRHR2ALDH1A1LMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694836-B1 PROCESS FOR PREPARING INTERMEDIATE OF ANTI-TUMOR DRUG NIRAPARIB AND INTERMEDIATE THEREOF ZAI LAB SHANGHAI CO LTD (CN) 2022-06-15 EP disclosed
US-10927077-B2 Process for preparing intermediate of anti-tumor drug niraparib and intermediate thereof ZAI LAB (SHANGHAI) CO., LTD. (CN) 2021-02-23 US disclosed
US-20200385350-A1 PROCESS FOR PREPARING INTERMEDIATE OF ANTI-TUMOR DRUG NIRAPARIB AND INTERMEDIATE THEREOF ZAI LAB (SHANGHAI) CO., LTD. (CN) 2020-12-10 US disclosed
WO-2019072237-A1 PROCESS FOR PREPARING INTERMEDIATE OF ANTI-TUMOR DRUG NIRAPARIB AND INTERMEDIATE THEREOF ZAI LAB (SHANGHAI) CO., LTD. (CN) 2019-04-18 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 (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-10927077-B2 Process for preparing intermediate of anti-tumor drug niraparib and intermediate thereof PARP1, PARP2, TOP2B CRHBP 3302/4885CRHR2 3537/4885ALDH1A1 893/4885
US-20200385350-A1 PROCESS FOR PREPARING INTERMEDIATE OF ANTI-TUMOR DRUG NIRAPARIB AND INTERMEDIATE THEREOF PARP1, PARP2, TOP2B CRHBP 3302/4885CRHR2 3537/4885ALDH1A1 893/4885

“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.